N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C15H24N6 — CID 83185697

IUPACN-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC)n(-c2ncc(CNC(C)C)c(C)n2)n1
InChIInChI=1S/C15H24N6/c1-6-13-19-14(7-2)21(20-13)15-17-9-12(11(5)18-15)8-16-10(3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyNGWKVRJPSNLWHG-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.99
Rot. Bonds6

About N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83185697) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83185697
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC)n(-c2ncc(CNC(C)C)c(C)n2)n1
InChIInChI=1S/C15H24N6/c1-6-13-19-14(7-2)21(20-13)15-17-9-12(11(5)18-15)8-16-10(3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyNGWKVRJPSNLWHG-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-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-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83185697) is N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is CCc1nc(CC)n(-c2ncc(CNC(C)C)c(C)n2)n1.
What is the InChIKey of N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is NGWKVRJPSNLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-6-13-19-14(7-2)21(20-13)15-17-9-12(11(5)18-15)8-16-10(3)4/h9-10,16H,6-8H2,1-5H3.
What are the key properties of N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 288.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83185697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).