[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine

C8H9N5 — CID 62354134

IUPAC[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C8H9N5/c9-3-7-1-2-8(10-4-7)13-5-11-12-6-13/h1-2,4-6H,3,9H2
InChIKeyLHOMBYNKBJZHJK-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.12
Rot. Bonds2

About [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine

[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine (PubChem CID 62354134) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine
PubChem CID62354134
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C8H9N5/c9-3-7-1-2-8(10-4-7)13-5-11-12-6-13/h1-2,4-6H,3,9H2
InChIKeyLHOMBYNKBJZHJK-UHFFFAOYSA-N
XLogP0.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine (CID 62354134) is [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine is NCc1ccc(-n2cnnc2)nc1.
What is the InChIKey of [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine?
The InChIKey is LHOMBYNKBJZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-3-7-1-2-8(10-4-7)13-5-11-12-6-13/h1-2,4-6H,3,9H2.
What are the key properties of [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine?
[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine has a molecular weight of 175.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62354134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).