[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

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Related Compounds

5-cyclobutyl-1-cyclopentyltriazol-4-amine
CID 105459688
(1-cyclopentyl-5-iodotriazol-4-yl)methanamine
CID 165456618
(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine
CID 105476755
3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
CID 82210390
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
(3-cyclopentyl-5-ethyltriazol-4-yl)methanamine
CID 105448584
[5-cyclobutyl-1-[(2,6-dichlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943290
(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
CID 82206090
1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
CID 105474430
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
CID 82205832
2-(5-cyclobutyl-1-methyltriazol-4-yl)ethanamine
CID 164663726
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564

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).