6-(1,2,4-triazol-1-yl)pyridin-3-amine

C7H7N5 — CID 16772327

IUPAC6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C7H7N5/c8-6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H,8H2
InChIKeyIIZQQUPRQNILGM-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 6-(1,2,4-triazol-1-yl)pyridin-3-amine

6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 16772327) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID16772327
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C7H7N5/c8-6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H,8H2
InChIKeyIIZQQUPRQNILGM-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 6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of 6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 16772327) is 6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)pyridin-3-amine is Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is IIZQQUPRQNILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H,8H2.
What are the key properties of 6-(1,2,4-triazol-1-yl)pyridin-3-amine?
6-(1,2,4-triazol-1-yl)pyridin-3-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 6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 16772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).