tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
TL;DR: tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one (CAS 1771-03-5) is a chemical compound with molecular formula C6H13N3O and molecular weight 143.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propyl-1,3,5-triazinan-2-one
Also Known As: 5-propyl-1,3,5-triazinan-2-one, Tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one, 5-propyl-[1,3,5]triazinan-2-one, 1,3,5-Triazin-2(1H)-one,tetrahydro-5-propyl-, 3,4,5,6-Tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
| Molecular Formula | C6H13N3O |
|---|---|
| Molecular Weight | 143.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.10587 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 1771-03-5 |
|---|---|
| SMILES | CCCN1CNC(=O)NC1 |
| InChIKey | DOKOLURCKPWOMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one (CAS 1771-03-5), with molecular formula C6H13N3O and molecular weight 143.11 g/mol. IUPAC: 5-propyl-1,3,5-triazinan-2-one.
Chemical Property Profile of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
Property Insights of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one. With a topological polar surface area (TPSA) of 44.4 Ų, tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one has 2 hydrogen bond donor(s) and 2 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 tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one?
The CAS number of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one is 1771-03-5.
What is the molecular formula of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one?
The molecular formula of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one is C6H13N3O.
What is the molecular weight of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one?
The molecular weight of tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one is 143.11 g/mol.
Where can I buy tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one?
You can request a quote for tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.