(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide

C9H13N5O — CID 104919498

IUPAC(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccnn1)[C@H]1CCCNC1
InChIInChI=1S/C9H13N5O/c15-8(7-2-1-3-10-6-7)13-9-11-4-5-12-14-9/h4-5,7,10H,1-3,6H2,(H,11,13,14,15)/t7-/m0/s1
InChIKeyFREXIMFIYYUWBL-ZETCQYMHSA-N
MW207.24 g/mol
LogP-0.19
Rot. Bonds2

About (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide

(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide (PubChem CID 104919498) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide
PubChem CID104919498
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccnn1)[C@H]1CCCNC1
InChIInChI=1S/C9H13N5O/c15-8(7-2-1-3-10-6-7)13-9-11-4-5-12-14-9/h4-5,7,10H,1-3,6H2,(H,11,13,14,15)/t7-/m0/s1
InChIKeyFREXIMFIYYUWBL-ZETCQYMHSA-N
XLogP-0.19
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide (CID 104919498) is (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide is O=C(Nc1nccnn1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The InChIKey is FREXIMFIYYUWBL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N5O/c15-8(7-2-1-3-10-6-7)13-9-11-4-5-12-14-9/h4-5,7,10H,1-3,6H2,(H,11,13,14,15)/t7-/m0/s1.
What are the key properties of (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,2,4-triazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104919498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).