1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine

C8H9N5 — CID 47002772

IUPAC1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H2,9,12)
InChIKeyFKLFQTLLGKCEKY-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.30
Rot. Bonds2

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

1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 47002772) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID47002772
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H2,9,12)
InChIKeyFKLFQTLLGKCEKY-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine (CID 47002772) is 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine is Nc1ncn(Cc2ccccn2)n1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is FKLFQTLLGKCEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H2,9,12).
What are the key properties of 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine?
1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 175.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 47002772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).