N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine

C12H24N4 — CID 115705346

IUPACN-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
SMILESCCCCCCNC(C)CCn1cncn1
InChIInChI=1S/C12H24N4/c1-3-4-5-6-8-14-12(2)7-9-16-11-13-10-15-16/h10-12,14H,3-9H2,1-2H3
InChIKeyRUFYIUBFMUCOFK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.23
Rot. Bonds9

About N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine

N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine (PubChem CID 115705346) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
PubChem CID115705346
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
SMILESCCCCCCNC(C)CCn1cncn1
InChIInChI=1S/C12H24N4/c1-3-4-5-6-8-14-12(2)7-9-16-11-13-10-15-16/h10-12,14H,3-9H2,1-2H3
InChIKeyRUFYIUBFMUCOFK-UHFFFAOYSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.23
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

3-(1H-1,2,4-triazol-1-yl)piperidine
CID 19005989
1-[(pyrrolidin-2-yl)methyl]-1H-1,2,4-triazole
CID 25248699
4-(1H-1,2,4-Triazol-1-yl)piperidine
CID 23532625
2-(1H-1,2,4-triazol-1-ylmethyl)piperidine
CID 54592631
4-(1H-1,2,4-triazol-1-yl)butan-2-amine
CID 43118947
1-cyclohexyl-1H-1,2,4-triazol-3-amine
CID 60911959
2-[(1H-1,2,4-triazol-1-yl)methyl]piperidine dihydrochloride
CID 155978216
N-decyl-3-amino-1,2,4-triazole
CID 62222047
N-butan-2-yl-3,3,3-trifluoro-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine;molecular hydrogen
CID 156801813
4-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 115727210
N-butan-2-yl-3,3,3-trifluoro-2-(1,2,4-triazol-1-ylmethyl)propan-1-amine
CID 156801814
N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-ylmethyl)propyl]pentan-2-amine
CID 156801843

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine (CID 115705346) is N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine is CCCCCCNC(C)CCn1cncn1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine?
The InChIKey is RUFYIUBFMUCOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-4-5-6-8-14-12(2)7-9-16-11-13-10-15-16/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine?
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine is sourced from PubChem (CID 115705346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).