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

C16H15N5O3 — CID 970336

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC
InChIInChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyTXTSSGLLPOYFAL-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.63
Rot. Bonds4

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

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 970336) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID970336
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC
InChIInChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyTXTSSGLLPOYFAL-UHFFFAOYSA-N
XLogP1.63
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone (CID 970336) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is TXTSSGLLPOYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 325.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 970336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).