[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C9H11N5 — CID 62949782

IUPAC[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-7-14(13-9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2
InChIKeyAQHRNQDNMYMHRY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.18
Rot. Bonds3

About [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62949782) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62949782
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-7-14(13-9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2
InChIKeyAQHRNQDNMYMHRY-UHFFFAOYSA-N
XLogP0.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.18
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-yl]methanamine?
The IUPAC name of [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 62949782) is [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1ncn(Cc2ccccn2)n1.
What is the InChIKey of [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AQHRNQDNMYMHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-5-9-12-7-14(13-9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2.
What are the key properties of [1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.18, 3 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-yl]methanamine is sourced from PubChem (CID 62949782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).