1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

C15H17N3O4 — CID 126834092

IUPAC1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cnn(C)n2)c(OC)c1OC
InChIInChI=1S/C15H17N3O4/c1-18-16-9-11(17-18)12(19)7-5-10-6-8-13(20-2)15(22-4)14(10)21-3/h5-9H,1-4H3
InChIKeyOSNVDBRYVQDVIJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.74
Rot. Bonds6

About 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 126834092) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
PubChem CID126834092
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cnn(C)n2)c(OC)c1OC
InChIInChI=1S/C15H17N3O4/c1-18-16-9-11(17-18)12(19)7-5-10-6-8-13(20-2)15(22-4)14(10)21-3/h5-9H,1-4H3
InChIKeyOSNVDBRYVQDVIJ-UHFFFAOYSA-N
XLogP1.74
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(E)-1-(4-imidazol-1-ylphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19569707
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 71440077
1-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 3317732
1-(4-bromophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84848600
1-(1-methylpyridin-1-ium-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 123840314
4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112158
1-(3-bromophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84848649
1-(3-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84855155
(E)-1-(4-piperidin-1-ylphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19560788
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
(1E,4E)-1-(2,3,4-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 46231643

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CID 126834092) is 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(C=CC(=O)c2cnn(C)n2)c(OC)c1OC.
What is the InChIKey of 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is OSNVDBRYVQDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18-16-9-11(17-18)12(19)7-5-10-6-8-13(20-2)15(22-4)14(10)21-3/h5-9H,1-4H3.
What are the key properties of 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 303.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltriazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 126834092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).