(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

C15H13N5O2 — CID 162667499

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
InChIInChI=1S/C15H13N5O2/c1-22-11-7-5-10(6-8-11)14(21)20-15(16)18-13(19-20)12-4-2-3-9-17-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyNHXDITCQCUWVEW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

About (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 162667499) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID162667499
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
InChIInChI=1S/C15H13N5O2/c1-22-11-7-5-10(6-8-11)14(21)20-15(16)18-13(19-20)12-4-2-3-9-17-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyNHXDITCQCUWVEW-UHFFFAOYSA-N
XLogP1.62
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (CID 162667499) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is NHXDITCQCUWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-11-7-5-10(6-8-11)14(21)20-15(16)18-13(19-20)12-4-2-3-9-17-12/h2-9H,1H3,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 295.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 162667499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).