6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine

C10H20N4 — CID 62695103

IUPAC6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCCn1ncnc1CCCCCCN
InChIInChI=1S/C10H20N4/c1-2-14-10(12-9-13-14)7-5-3-4-6-8-11/h9H,2-8,11H2,1H3
InChIKeyAUVAIJMSHUJXNM-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.36
Rot. Bonds7

About 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine

6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine (PubChem CID 62695103) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine
PubChem CID62695103
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCCn1ncnc1CCCCCCN
InChIInChI=1S/C10H20N4/c1-2-14-10(12-9-13-14)7-5-3-4-6-8-11/h9H,2-8,11H2,1H3
InChIKeyAUVAIJMSHUJXNM-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 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 ≤ 51.36
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 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine?
The IUPAC name of 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine (CID 62695103) is 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine?
The canonical SMILES for 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine is CCn1ncnc1CCCCCCN.
What is the InChIKey of 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine?
The InChIKey is AUVAIJMSHUJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-14-10(12-9-13-14)7-5-3-4-6-8-11/h9H,2-8,11H2,1H3.
What are the key properties of 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine?
6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,2,4-triazol-3-yl)hexan-1-amine is sourced from PubChem (CID 62695103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).