3-(triazol-1-yl)pyridin-2-amine

C7H7N5 — CID 84651207

IUPAC3-(triazol-1-yl)pyridin-2-amine
SMILESNc1ncccc1-n1ccnn1
InChIInChI=1S/C7H7N5/c8-7-6(2-1-3-9-7)12-5-4-10-11-12/h1-5H,(H2,8,9)
InChIKeyBGHKTIKQGLGLJO-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 3-(triazol-1-yl)pyridin-2-amine

3-(triazol-1-yl)pyridin-2-amine (PubChem CID 84651207) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 3-(triazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(triazol-1-yl)pyridin-2-amine
PubChem CID84651207
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name3-(triazol-1-yl)pyridin-2-amine
SMILESNc1ncccc1-n1ccnn1
InChIInChI=1S/C7H7N5/c8-7-6(2-1-3-9-7)12-5-4-10-11-12/h1-5H,(H2,8,9)
InChIKeyBGHKTIKQGLGLJO-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)pyridin-2-amine?
The IUPAC name of 3-(triazol-1-yl)pyridin-2-amine (CID 84651207) is 3-(triazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(triazol-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(triazol-1-yl)pyridin-2-amine is Nc1ncccc1-n1ccnn1.
What is the InChIKey of 3-(triazol-1-yl)pyridin-2-amine?
The InChIKey is BGHKTIKQGLGLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-7-6(2-1-3-9-7)12-5-4-10-11-12/h1-5H,(H2,8,9).
What are the key properties of 3-(triazol-1-yl)pyridin-2-amine?
3-(triazol-1-yl)pyridin-2-amine has a molecular weight of 161.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 84651207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).