2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N5 — CID 22431832

IUPAC2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(NCCc3cccc(C)c3)n2n1
InChIInChI=1S/C17H21N5/c1-4-15-20-17-19-13(3)11-16(22(17)21-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyYTBAQIZCLPLVMV-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.96
Rot. Bonds5

About 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22431832) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22431832
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(NCCc3cccc(C)c3)n2n1
InChIInChI=1S/C17H21N5/c1-4-15-20-17-19-13(3)11-16(22(17)21-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyYTBAQIZCLPLVMV-UHFFFAOYSA-N
XLogP2.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[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 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22431832) is 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(NCCc3cccc(C)c3)n2n1.
What is the InChIKey of 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YTBAQIZCLPLVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-15-20-17-19-13(3)11-16(22(17)21-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11,18H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 295.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22431832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).