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

C13H21N5 — CID 79003007

IUPAC5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCCC(C)C)n2ncnc2n1
InChIInChI=1S/C13H21N5/c1-10(2)6-4-5-7-14-12-8-11(3)17-13-15-9-16-18(12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyYWFDDRXYFCBXQE-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.67
Rot. Bonds6

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

5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 79003007) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID79003007
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCCC(C)C)n2ncnc2n1
InChIInChI=1S/C13H21N5/c1-10(2)6-4-5-7-14-12-8-11(3)17-13-15-9-16-18(12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyYWFDDRXYFCBXQE-UHFFFAOYSA-N
XLogP2.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-(5-methylhexyl)-[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 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 79003007) is 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCCC(C)C)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YWFDDRXYFCBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)6-4-5-7-14-12-8-11(3)17-13-15-9-16-18(12)13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 247.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 79003007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).