N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C20H17N7 — CID 156536781

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2cnn(C)c2)c1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C20H17N7/c1-25-12-15(11-22-25)14-6-5-7-16(10-14)26(2)19-17-8-3-4-9-18(17)27-13-21-24-20(27)23-19/h3-13H,1-2H3
InChIKeyGLVAAEXWVHIGNG-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536781) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536781
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2cnn(C)c2)c1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C20H17N7/c1-25-12-15(11-22-25)14-6-5-7-16(10-14)26(2)19-17-8-3-4-9-18(17)27-13-21-24-20(27)23-19/h3-13H,1-2H3
InChIKeyGLVAAEXWVHIGNG-UHFFFAOYSA-N
XLogP3.45
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine 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 N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536781) is N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cccc(-c2cnn(C)c2)c1)c1nc2nncn2c2ccccc12.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is GLVAAEXWVHIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-25-12-15(11-22-25)14-6-5-7-16(10-14)26(2)19-17-8-3-4-9-18(17)27-13-21-24-20(27)23-19/h3-13H,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 355.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).