2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one
TL;DR: 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one (CAS 869941-72-0) is a chemical compound with molecular formula C5H6N6O and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2H-tetrazol-5-yl)-4H-pyrazol-3-one
Also Known As: 5-methyl-2-(2H-tetrazol-5-yl)-4H-pyrazol-3-one, 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one, 5-Methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-1-(1h-1,2,3,4-tetrazol-5-yl)-4,5-dihydro-1h-pyrazol-5-one, RefChem:246471
| Molecular Formula | C5H6N6O |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | -0.6877 |
| Topological Polar Surface Area | 87.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.0603 |
| Heavy Atoms | 12 |
| Complexity | 327.71747 |
Chemical Identifiers
| CAS Number | 869941-72-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=NNN=N2 |
Product Overview
2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one (CAS 869941-72-0), with molecular formula C5H6N6O and molecular weight 166.06 g/mol. IUPAC: 5-methyl-2-(2H-tetrazol-5-yl)-4H-pyrazol-3-one.
Chemical Property Profile of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one
Property Insights of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one
The XLogP value of -0.6877 indicates that 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one?
The CAS number of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one is 869941-72-0.
What is the molecular formula of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one?
The molecular formula of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one is C5H6N6O.
What is the molecular weight of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one?
The molecular weight of 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one is 166.06 g/mol.
Where can I buy 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one?
You can request a quote for 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-methyl-2-(2H-tetrazol-5-yl)-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.