10-(1,2,4-triazol-1-yl)decan-1-amine

C12H24N4 — CID 19742667

IUPAC10-(1,2,4-triazol-1-yl)decan-1-amine
SMILESNCCCCCCCCCCn1cncn1
InChIInChI=1S/C12H24N4/c13-9-7-5-3-1-2-4-6-8-10-16-12-14-11-15-16/h11-12H,1-10,13H2
InChIKeyHEAZTHOPCBPGKQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.36
Rot. Bonds10

About 10-(1,2,4-triazol-1-yl)decan-1-amine

10-(1,2,4-triazol-1-yl)decan-1-amine (PubChem CID 19742667) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 10-(1,2,4-triazol-1-yl)decan-1-amine.

Molecular Properties

Compound Name10-(1,2,4-triazol-1-yl)decan-1-amine
PubChem CID19742667
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name10-(1,2,4-triazol-1-yl)decan-1-amine
SMILESNCCCCCCCCCCn1cncn1
InChIInChI=1S/C12H24N4/c13-9-7-5-3-1-2-4-6-8-10-16-12-14-11-15-16/h11-12H,1-10,13H2
InChIKeyHEAZTHOPCBPGKQ-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 10-(1,2,4-triazol-1-yl)decan-1-amine?
The IUPAC name of 10-(1,2,4-triazol-1-yl)decan-1-amine (CID 19742667) is 10-(1,2,4-triazol-1-yl)decan-1-amine.
What is the SMILES notation for 10-(1,2,4-triazol-1-yl)decan-1-amine?
The canonical SMILES for 10-(1,2,4-triazol-1-yl)decan-1-amine is NCCCCCCCCCCn1cncn1.
What is the InChIKey of 10-(1,2,4-triazol-1-yl)decan-1-amine?
The InChIKey is HEAZTHOPCBPGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c13-9-7-5-3-1-2-4-6-8-10-16-12-14-11-15-16/h11-12H,1-10,13H2.
What are the key properties of 10-(1,2,4-triazol-1-yl)decan-1-amine?
10-(1,2,4-triazol-1-yl)decan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,2,4-triazol-1-yl)decan-1-amine is sourced from PubChem (CID 19742667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).