[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine

C10H13N5 — CID 114325427

IUPAC[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCCc1nc(-c2ccnc(CN)c2)n[nH]1
InChIInChI=1S/C10H13N5/c1-2-9-13-10(15-14-9)7-3-4-12-8(5-7)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,15)
InChIKeyLWKMBWNJYZBHSR-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.89
Rot. Bonds3

About [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (PubChem CID 114325427) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
PubChem CID114325427
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCCc1nc(-c2ccnc(CN)c2)n[nH]1
InChIInChI=1S/C10H13N5/c1-2-9-13-10(15-14-9)7-3-4-12-8(5-7)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,15)
InChIKeyLWKMBWNJYZBHSR-UHFFFAOYSA-N
XLogP0.89
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine 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 [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (CID 114325427) is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is CCc1nc(-c2ccnc(CN)c2)n[nH]1.
What is the InChIKey of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The InChIKey is LWKMBWNJYZBHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-9-13-10(15-14-9)7-3-4-12-8(5-7)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,15).
What are the key properties of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine has a molecular weight of 203.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114325427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).