[1,5-di(cyclobutyl)triazol-4-yl]methanamine

C11H18N4 — CID 105459690

IUPAC[1,5-di(cyclobutyl)triazol-4-yl]methanamine
SMILESNCc1nnn(C2CCC2)c1C1CCC1
InChIInChI=1S/C11H18N4/c12-7-10-11(8-3-1-4-8)15(14-13-10)9-5-2-6-9/h8-9H,1-7,12H2
InChIKeyNJOGPGKACMTYNL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.73
Rot. Bonds3

About [1,5-di(cyclobutyl)triazol-4-yl]methanamine

[1,5-di(cyclobutyl)triazol-4-yl]methanamine (PubChem CID 105459690) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [1,5-di(cyclobutyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,5-di(cyclobutyl)triazol-4-yl]methanamine
PubChem CID105459690
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[1,5-di(cyclobutyl)triazol-4-yl]methanamine
SMILESNCc1nnn(C2CCC2)c1C1CCC1
InChIInChI=1S/C11H18N4/c12-7-10-11(8-3-1-4-8)15(14-13-10)9-5-2-6-9/h8-9H,1-7,12H2
InChIKeyNJOGPGKACMTYNL-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1,5-di(cyclobutyl)triazol-4-yl]methanamine 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 [1,5-di(cyclobutyl)triazol-4-yl]methanamine?
The IUPAC name of [1,5-di(cyclobutyl)triazol-4-yl]methanamine (CID 105459690) is [1,5-di(cyclobutyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1,5-di(cyclobutyl)triazol-4-yl]methanamine?
The canonical SMILES for [1,5-di(cyclobutyl)triazol-4-yl]methanamine is NCc1nnn(C2CCC2)c1C1CCC1.
What is the InChIKey of [1,5-di(cyclobutyl)triazol-4-yl]methanamine?
The InChIKey is NJOGPGKACMTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-7-10-11(8-3-1-4-8)15(14-13-10)9-5-2-6-9/h8-9H,1-7,12H2.
What are the key properties of [1,5-di(cyclobutyl)triazol-4-yl]methanamine?
[1,5-di(cyclobutyl)triazol-4-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-di(cyclobutyl)triazol-4-yl]methanamine is sourced from PubChem (CID 105459690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).