N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine

C10H18N4 — CID 81004727

IUPACN-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1n1cncn1
InChIInChI=1S/C10H18N4/c1-2-5-11-6-9-3-4-10(9)14-8-12-7-13-14/h7-11H,2-6H2,1H3
InChIKeyYNHBFIGPXQNELL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.23
Rot. Bonds5

About N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81004727) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID81004727
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1n1cncn1
InChIInChI=1S/C10H18N4/c1-2-5-11-6-9-3-4-10(9)14-8-12-7-13-14/h7-11H,2-6H2,1H3
InChIKeyYNHBFIGPXQNELL-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005499
N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80997839
N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005492
N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 102746059
N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80996996
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine
CID 82753410
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999580
N-[[2-(2-propylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 83061780
N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine
CID 114691486
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine (CID 81004727) is N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1n1cncn1.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is YNHBFIGPXQNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-5-11-6-9-3-4-10(9)14-8-12-7-13-14/h7-11H,2-6H2,1H3.
What are the key properties of N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,4-triazol-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81004727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).