2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H25N7 — CID 20880366

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1cc(C)n(CCc2nc3c4ccccc4nc(NCCc4ccccc4)n3n2)n1
InChIInChI=1S/C24H25N7/c1-17-16-18(2)30(28-17)15-13-22-27-23-20-10-6-7-11-21(20)26-24(31(23)29-22)25-14-12-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,25,26)
InChIKeyGXCIWYGEAJXFIR-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.99
Rot. Bonds7

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880366) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880366
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1cc(C)n(CCc2nc3c4ccccc4nc(NCCc4ccccc4)n3n2)n1
InChIInChI=1S/C24H25N7/c1-17-16-18(2)30(28-17)15-13-22-27-23-20-10-6-7-11-21(20)26-24(31(23)29-22)25-14-12-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,25,26)
InChIKeyGXCIWYGEAJXFIR-UHFFFAOYSA-N
XLogP3.99
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]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

Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3306127
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 4188780
N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423942
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide
CID 46369725
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 4144028
N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423944
ethyl 2-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetate
CID 20875693
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880393
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134993
5-[(2-chlorophenyl)methylsulfanyl]-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazoline
CID 20855868

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880366) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1cc(C)n(CCc2nc3c4ccccc4nc(NCCc4ccccc4)n3n2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is GXCIWYGEAJXFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-17-16-18(2)30(28-17)15-13-22-27-23-20-10-6-7-11-21(20)26-24(31(23)29-22)25-14-12-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 411.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).