[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

C15H13N5O — CID 2954636

IUPAC[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)13-18-15(16)20(19-13)14(21)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyZIDGNNQSFMVXCP-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.92
Rot. Bonds2

About [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 2954636) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
PubChem CID2954636
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)13-18-15(16)20(19-13)14(21)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyZIDGNNQSFMVXCP-UHFFFAOYSA-N
XLogP1.92
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (CID 2954636) is [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is Cc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1.
What is the InChIKey of [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ZIDGNNQSFMVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)13-18-15(16)20(19-13)14(21)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19).
What are the key properties of [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 279.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 2954636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).