2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine

C21H23N7 — CID 50964550

IUPAC2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
SMILESNCCc1nc(NCc2nncn2CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H23N7/c22-12-10-19-25-18-9-5-4-8-17(18)21(26-19)23-14-20-27-24-15-28(20)13-11-16-6-2-1-3-7-16/h1-9,15H,10-14,22H2,(H,23,25,26)
InChIKeyUSECYQZCHSXIDK-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.58
Rot. Bonds8

About 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine (PubChem CID 50964550) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
PubChem CID50964550
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
SMILESNCCc1nc(NCc2nncn2CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H23N7/c22-12-10-19-25-18-9-5-4-8-17(18)21(26-19)23-14-20-27-24-15-28(20)13-11-16-6-2-1-3-7-16/h1-9,15H,10-14,22H2,(H,23,25,26)
InChIKeyUSECYQZCHSXIDK-UHFFFAOYSA-N
XLogP2.58
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-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 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine (CID 50964550) is 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine is NCCc1nc(NCc2nncn2CCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine?
The InChIKey is USECYQZCHSXIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c22-12-10-19-25-18-9-5-4-8-17(18)21(26-19)23-14-20-27-24-15-28(20)13-11-16-6-2-1-3-7-16/h1-9,15H,10-14,22H2,(H,23,25,26).
What are the key properties of 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 50964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).