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

C8H15ClN4 — CID 174778847

IUPAC3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride
SMILESCCCC(=CCN)n1cncn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-3-8(4-5-9)12-7-10-6-11-12;/h4,6-7H,2-3,5,9H2,1H3;1H
InChIKeyIFBBNPGMQQYTQT-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.30
Rot. Bonds4

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

3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride (PubChem CID 174778847) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride
PubChem CID174778847
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride
SMILESCCCC(=CCN)n1cncn1.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-3-8(4-5-9)12-7-10-6-11-12;/h4,6-7H,2-3,5,9H2,1H3;1H
InChIKeyIFBBNPGMQQYTQT-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,4-triazol-1-yl)octadecan-1-one
CID 550756
3-(1,2,4-triazol-1-yl)heptan-4-one
CID 144648811
(5-tert-butyl-3-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382610
4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
CID 54498437
N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide
CID 57081414
16-methylheptadecyl 1,2,4-triazole-1-carboxylate
CID 19788764
(5-methyl-3-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381587
1-(1-ethoxy-3-phenylocta-1,2-dienyl)-1,2,4-triazole
CID 10685430
(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382461
1-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)oct-4-en-3-one
CID 54324090
2-(1,2,4-triazol-1-yl)butanethioamide;hydrochloride
CID 142638721
1,2,4-triazole-1-carboperoxoic acid
CID 101006076

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride?
The IUPAC name of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride (CID 174778847) is 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride is CCCC(=CCN)n1cncn1.Cl.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride?
The InChIKey is IFBBNPGMQQYTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-2-3-8(4-5-9)12-7-10-6-11-12;/h4,6-7H,2-3,5,9H2,1H3;1H.
What are the key properties of 3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride?
3-(1,2,4-triazol-1-yl)hex-2-en-1-amine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.30, 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;hydrochloride is sourced from PubChem (CID 174778847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).