3-(1,2,4-triazol-1-yl)hex-2-en-1-amine

C8H14N4 — CID 174778817

IUPAC3-(1,2,4-triazol-1-yl)hex-2-en-1-amine
SMILESCCCC(=CCN)n1cncn1
InChIInChI=1S/C8H14N4/c1-2-3-8(4-5-9)12-7-10-6-11-12/h4,6-7H,2-3,5,9H2,1H3
InChIKeyOUWGFALSPCLNTO-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.88
Rot. Bonds4

About 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine

3-(1,2,4-triazol-1-yl)hex-2-en-1-amine (PubChem CID 174778817) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)hex-2-en-1-amine
PubChem CID174778817
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-(1,2,4-triazol-1-yl)hex-2-en-1-amine
SMILESCCCC(=CCN)n1cncn1
InChIInChI=1S/C8H14N4/c1-2-3-8(4-5-9)12-7-10-6-11-12/h4,6-7H,2-3,5,9H2,1H3
InChIKeyOUWGFALSPCLNTO-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine?
The IUPAC name of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine (CID 174778817) is 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine is CCCC(=CCN)n1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine?
The InChIKey is OUWGFALSPCLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-3-8(4-5-9)12-7-10-6-11-12/h4,6-7H,2-3,5,9H2,1H3.
What are the key properties of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine?
3-(1,2,4-triazol-1-yl)hex-2-en-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine is sourced from PubChem (CID 174778817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).