N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 23608604

IUPACN-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(-c3ccccc3C)nc2n1
InChIInChI=1S/C21H21N5/c1-15-9-7-8-12-18(15)20-23-21-22-16(2)13-19(26(21)24-20)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3
InChIKeyFURVVMCTDHRVQR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.04
Rot. Bonds4

About N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608604) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608604
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(-c3ccccc3C)nc2n1
InChIInChI=1S/C21H21N5/c1-15-9-7-8-12-18(15)20-23-21-22-16(2)13-19(26(21)24-20)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3
InChIKeyFURVVMCTDHRVQR-UHFFFAOYSA-N
XLogP4.04
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608604) is N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2ccccc2)n2nc(-c3ccccc3C)nc2n1.
What is the InChIKey of N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FURVVMCTDHRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-15-9-7-8-12-18(15)20-23-21-22-16(2)13-19(26(21)24-20)25(3)14-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).