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

C15H17N5 — CID 23608439

IUPACN,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3nc(C)cc(N(C)C)n3n2)cc1
InChIInChI=1S/C15H17N5/c1-10-5-7-12(8-6-10)14-17-15-16-11(2)9-13(19(3)4)20(15)18-14/h5-9H,1-4H3
InChIKeySQSUSMKWELCKIQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.47
Rot. Bonds2

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

N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608439) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608439
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3nc(C)cc(N(C)C)n3n2)cc1
InChIInChI=1S/C15H17N5/c1-10-5-7-12(8-6-10)14-17-15-16-11(2)9-13(19(3)4)20(15)18-14/h5-9H,1-4H3
InChIKeySQSUSMKWELCKIQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,5-trimethyl-2-(4-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,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608439) is N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2nc3nc(C)cc(N(C)C)n3n2)cc1.
What is the InChIKey of N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SQSUSMKWELCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-5-7-12(8-6-10)14-17-15-16-11(2)9-13(19(3)4)20(15)18-14/h5-9H,1-4H3.
What are the key properties of N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).