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

C23H18ClN7 — CID 175790121

IUPAC1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2cnc(C3CC3)cn2)c1)c1nc2nnc(Cl)n2c2ccccc12
InChIInChI=1S/C23H18ClN7/c1-30(21-17-7-2-3-8-20(17)31-22(24)28-29-23(31)27-21)16-6-4-5-15(11-16)19-13-25-18(12-26-19)14-9-10-14/h2-8,11-14H,9-10H2,1H3
InChIKeyJFHOVANYMVZRPE-UHFFFAOYSA-N
MW427.90 g/mol
LogP5.03
Rot. Bonds4

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

1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 175790121) has the molecular formula C23H18ClN7 and a molecular weight of 427.90 g/mol. Its IUPAC name is 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID175790121
Molecular FormulaC23H18ClN7
Molecular Weight427.90 g/mol
Exact Mass427.13
IUPAC Name1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2cnc(C3CC3)cn2)c1)c1nc2nnc(Cl)n2c2ccccc12
InChIInChI=1S/C23H18ClN7/c1-30(21-17-7-2-3-8-20(17)31-22(24)28-29-23(31)27-21)16-6-4-5-15(11-16)19-13-25-18(12-26-19)14-9-10-14/h2-8,11-14H,9-10H2,1H3
InChIKeyJFHOVANYMVZRPE-UHFFFAOYSA-N
XLogP5.03
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.90
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[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 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 175790121) is 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cccc(-c2cnc(C3CC3)cn2)c1)c1nc2nnc(Cl)n2c2ccccc12.
What is the InChIKey of 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is JFHOVANYMVZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7/c1-30(21-17-7-2-3-8-20(17)31-22(24)28-29-23(31)27-21)16-6-4-5-15(11-16)19-13-25-18(12-26-19)14-9-10-14/h2-8,11-14H,9-10H2,1H3.
What are the key properties of 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 427.90 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 175790121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).