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

C15H13N5O2 — CID 971668

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)
InChIKeyYLUMVCNEFHTQHD-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

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

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 971668) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
PubChem CID971668
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
InChIInChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)
InChIKeyYLUMVCNEFHTQHD-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-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (CID 971668) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YLUMVCNEFHTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-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-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 971668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).