1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole

C8H11N3 — CID 89271238

IUPAC1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
SMILESC/C=C\C=C/c1cnnn1C
InChIInChI=1S/C8H11N3/c1-3-4-5-6-8-7-9-10-11(8)2/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyLKEKTQXJMDMDFD-OUPQRBNQSA-N
MW149.20 g/mol
LogP1.40
Rot. Bonds2

About 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole

1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole (PubChem CID 89271238) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole.

Molecular Properties

Compound Name1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
PubChem CID89271238
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
SMILESC/C=C\C=C/c1cnnn1C
InChIInChI=1S/C8H11N3/c1-3-4-5-6-8-7-9-10-11(8)2/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyLKEKTQXJMDMDFD-OUPQRBNQSA-N
XLogP1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.40
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

Triazolyl-propene
CID 53864080
4-pent-1-enyl-2H-triazole
CID 72336706
4-[(3E,5E)-6-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltriazole
CID 129203743
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]-1-methyltriazole
CID 166900186
(E)-3-[3-(2,2,2-trifluoroethyl)triazol-4-yl]prop-2-enenitrile
CID 169172564
4,5-dimethyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356911
4-Methyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356912
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
4-ethenyl-1-methyl-1H-1,2,3-triazole
CID 54142688
4-[(E)-prop-1-enyl]-2H-triazole
CID 57261126

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole?
The IUPAC name of 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole (CID 89271238) is 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole.
What is the SMILES notation for 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole?
The canonical SMILES for 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole is C/C=C\C=C/c1cnnn1C.
What is the InChIKey of 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole?
The InChIKey is LKEKTQXJMDMDFD-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-5-6-8-7-9-10-11(8)2/h3-7H,1-2H3/b4-3-,6-5-.
What are the key properties of 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole?
1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole is sourced from PubChem (CID 89271238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).