N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

C8H9N5 — CID 778505

IUPACN-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCn2cncn2)nc1
InChIInChI=1S/C8H9N5/c1-2-4-10-8(3-1)11-7-13-6-9-5-12-13/h1-6H,7H2,(H,10,11)
InChIKeyPCXLFDYHBHKQHP-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.74
Rot. Bonds3

About N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine

N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (PubChem CID 778505) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
PubChem CID778505
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCn2cncn2)nc1
InChIInChI=1S/C8H9N5/c1-2-4-10-8(3-1)11-7-13-6-9-5-12-13/h1-6H,7H2,(H,10,11)
InChIKeyPCXLFDYHBHKQHP-UHFFFAOYSA-N
XLogP0.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine (CID 778505) is N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is c1ccc(NCn2cncn2)nc1.
What is the InChIKey of N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
The InChIKey is PCXLFDYHBHKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-4-10-8(3-1)11-7-13-6-9-5-12-13/h1-6H,7H2,(H,10,11).
What are the key properties of N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine?
N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 778505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).