N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine

C10H20N4 — CID 143506335

IUPACN-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine
SMILESCCCC(CCNCC)n1cncn1
InChIInChI=1S/C10H20N4/c1-3-5-10(6-7-11-4-2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3
InChIKeyOLNCKTYUFTZZFD-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.62
Rot. Bonds7

About N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine

N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine (PubChem CID 143506335) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine
PubChem CID143506335
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine
SMILESCCCC(CCNCC)n1cncn1
InChIInChI=1S/C10H20N4/c1-3-5-10(6-7-11-4-2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3
InChIKeyOLNCKTYUFTZZFD-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.62
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 N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine?
The IUPAC name of N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine (CID 143506335) is N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine is CCCC(CCNCC)n1cncn1.
What is the InChIKey of N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine?
The InChIKey is OLNCKTYUFTZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-10(6-7-11-4-2)14-9-12-8-13-14/h8-11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine?
N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,2,4-triazol-1-yl)hexan-1-amine is sourced from PubChem (CID 143506335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).