(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone

C17H16N4O3 — CID 71451729

IUPAC(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2C)cc1OC
InChIInChI=1S/C17H16N4O3/c1-11-19-16(13-5-4-8-18-10-13)20-21(11)17(22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3
InChIKeyREENFULSDJZUJZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.35
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone

(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone (PubChem CID 71451729) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone
PubChem CID71451729
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2C)cc1OC
InChIInChI=1S/C17H16N4O3/c1-11-19-16(13-5-4-8-18-10-13)20-21(11)17(22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3
InChIKeyREENFULSDJZUJZ-UHFFFAOYSA-N
XLogP2.35
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone (CID 71451729) is (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone is COc1ccc(C(=O)n2nc(-c3cccnc3)nc2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone?
The InChIKey is REENFULSDJZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-19-16(13-5-4-8-18-10-13)20-21(11)17(22)12-6-7-14(23-2)15(9-12)24-3/h4-10H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone?
(3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(5-methyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 71451729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).