(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine

C10H16N4 — CID 143922029

IUPAC(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
SMILESC=CCCC(/C=C/CN)n1cncn1
InChIInChI=1S/C10H16N4/c1-2-3-5-10(6-4-7-11)14-9-12-8-13-14/h2,4,6,8-10H,1,3,5,7,11H2/b6-4+
InChIKeyLMSIXRBTTIDQDZ-GQCTYLIASA-N
MW192.27 g/mol
LogP1.30
Rot. Bonds6

About (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine

(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine (PubChem CID 143922029) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
PubChem CID143922029
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
SMILESC=CCCC(/C=C/CN)n1cncn1
InChIInChI=1S/C10H16N4/c1-2-3-5-10(6-4-7-11)14-9-12-8-13-14/h2,4,6,8-10H,1,3,5,7,11H2/b6-4+
InChIKeyLMSIXRBTTIDQDZ-GQCTYLIASA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Deca-2,9-dienyl-1,2,4-triazole
CID 57203582
(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
CID 68830180
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
3-(1,2,4-Triazol-1-yl)cyclopent-2-en-1-amine
CID 121317437
1-(3-Azidocyclohexen-1-yl)-1,2,4-triazole
CID 121317476
2-Methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
CID 173107871
3-(1,2,4-Triazol-1-yl)hex-2-en-1-amine
CID 174778817
6-Methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
CID 174778823
3-(1,2,4-Triazol-1-yl)hex-2-en-1-amine;hydrochloride
CID 174778847
1-Cyclohex-2-en-1-yl-1,2,4-triazole
CID 13491239
1-[(2E)-deca-2,9-dienyl]-1,2,4-triazole
CID 19745058

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine?
The IUPAC name of (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine (CID 143922029) is (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine.
What is the SMILES notation for (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine?
The canonical SMILES for (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine is C=CCCC(/C=C/CN)n1cncn1.
What is the InChIKey of (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine?
The InChIKey is LMSIXRBTTIDQDZ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16N4/c1-2-3-5-10(6-4-7-11)14-9-12-8-13-14/h2,4,6,8-10H,1,3,5,7,11H2/b6-4+.
What are the key properties of (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine?
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine is sourced from PubChem (CID 143922029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).