1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole

C11H15N3 — CID 170615886

IUPAC1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole
SMILESC=C(/C=C\C(=C)n1cncn1)C(C)C
InChIInChI=1S/C11H15N3/c1-9(2)10(3)5-6-11(4)14-8-12-7-13-14/h5-9H,3-4H2,1-2H3/b6-5-
InChIKeyAJOOXMZPDSMLOL-WAYWQWQTSA-N
MW189.26 g/mol
LogP2.52
Rot. Bonds4

About 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole

1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole (PubChem CID 170615886) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole
PubChem CID170615886
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole
SMILESC=C(/C=C\C(=C)n1cncn1)C(C)C
InChIInChI=1S/C11H15N3/c1-9(2)10(3)5-6-11(4)14-8-12-7-13-14/h5-9H,3-4H2,1-2H3/b6-5-
InChIKeyAJOOXMZPDSMLOL-WAYWQWQTSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4Z)-4-ethyl-6-fluorohepta-2,4,6-trien-3-yl]-1,2,4-triazole
CID 153554111
1-(2-Methyl-5-methylidenecyclopenten-1-yl)-1,2,4-triazole
CID 58174564
1-[(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-trien-2-yl]-1,2,4-triazole
CID 118349332
1-Penta-1,3-dien-3-yl-1,2,4-triazole
CID 123631771
1-(5-Methylhexa-2,4-dien-2-yl)-1,2,4-triazole
CID 123897256
1-Hepta-2,4-dien-3-yl-1,2,4-triazole
CID 123947835
1-[(2Z,4Z)-hepta-2,4-dienyl]-1,2,4-triazole
CID 126590348
(4E,5E)-4,5-bis(prop-2-enylidene)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 132097808
(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine
CID 134443327
1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-1,2,4-triazole
CID 134553219
1-[(2E,4Z,6Z)-6-ethylocta-2,4,6-trien-3-yl]-1,2,4-triazol-3-amine
CID 135233074
1-(3-Bromo-3-methylcyclohexa-1,5-dien-1-yl)-1,2,4-triazole
CID 137417396

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole?
The IUPAC name of 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole (CID 170615886) is 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole is C=C(/C=C\C(=C)n1cncn1)C(C)C.
What is the InChIKey of 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole?
The InChIKey is AJOOXMZPDSMLOL-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(2)10(3)5-6-11(4)14-8-12-7-13-14/h5-9H,3-4H2,1-2H3/b6-5-.
What are the key properties of 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole?
1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole has a molecular weight of 189.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-yl]-1,2,4-triazole is sourced from PubChem (CID 170615886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).