7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

C21H20N4O2 — CID 171620731

IUPAC7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOc1cccc(-c2c(C)c3cnn(-c4ccccn4)c(=O)n3c2C)c1C
InChIInChI=1S/C21H20N4O2/c1-13-16(8-7-9-18(13)27-4)20-14(2)17-12-23-25(19-10-5-6-11-22-19)21(26)24(17)15(20)3/h5-12H,1-4H3
InChIKeyBXANBGHWIGNXGF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.48
Rot. Bonds3

About 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620731) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620731
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOc1cccc(-c2c(C)c3cnn(-c4ccccn4)c(=O)n3c2C)c1C
InChIInChI=1S/C21H20N4O2/c1-13-16(8-7-9-18(13)27-4)20-14(2)17-12-23-25(19-10-5-6-11-22-19)21(26)24(17)15(20)3/h5-12H,1-4H3
InChIKeyBXANBGHWIGNXGF-UHFFFAOYSA-N
XLogP3.48
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one 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 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620731) is 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is COc1cccc(-c2c(C)c3cnn(-c4ccccn4)c(=O)n3c2C)c1C.
What is the InChIKey of 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is BXANBGHWIGNXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-16(8-7-9-18(13)27-4)20-14(2)17-12-23-25(19-10-5-6-11-22-19)21(26)24(17)15(20)3/h5-12H,1-4H3.
What are the key properties of 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxy-2-methylphenyl)-6,8-dimethyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).