5-pyridin-2-yl-1H-1,2,4-triazol-3-amine

C7H7N5 — CID 12011792

IUPAC5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H3,8,10,11,12)
InChIKeyVPTQEOQBSABCKV-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.45
Rot. Bonds1

About 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine

5-pyridin-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 12011792) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID12011792
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H3,8,10,11,12)
InChIKeyVPTQEOQBSABCKV-UHFFFAOYSA-N
XLogP0.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine (CID 12011792) is 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is VPTQEOQBSABCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H3,8,10,11,12).
What are the key properties of 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
5-pyridin-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 161.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 12011792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).