7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C15H24N4 — CID 154936668

IUPAC7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCCCC(C)(CCCC)c1cc2nncn2cn1
InChIInChI=1S/C15H24N4/c1-4-6-8-15(3,9-7-5-2)13-10-14-18-17-12-19(14)11-16-13/h10-12H,4-9H2,1-3H3
InChIKeyPBBHADFPXWGYKG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.76
Rot. Bonds7

About 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 154936668) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID154936668
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCCCC(C)(CCCC)c1cc2nncn2cn1
InChIInChI=1S/C15H24N4/c1-4-6-8-15(3,9-7-5-2)13-10-14-18-17-12-19(14)11-16-13/h10-12H,4-9H2,1-3H3
InChIKeyPBBHADFPXWGYKG-UHFFFAOYSA-N
XLogP3.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine 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 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 154936668) is 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is CCCCC(C)(CCCC)c1cc2nncn2cn1.
What is the InChIKey of 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is PBBHADFPXWGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-6-8-15(3,9-7-5-2)13-10-14-18-17-12-19(14)11-16-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 260.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 154936668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).