4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole

C8H11N3 — CID 143048748

IUPAC4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole
SMILESC=C/C=C\n1c(C)nnc1C
InChIInChI=1S/C8H11N3/c1-4-5-6-11-7(2)9-10-8(11)3/h4-6H,1H2,2-3H3/b6-5-
InChIKeySDYKKEGUNSFLDD-WAYWQWQTSA-N
MW149.20 g/mol
LogP1.55
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole

4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole (PubChem CID 143048748) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole
PubChem CID143048748
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole
SMILESC=C/C=C\n1c(C)nnc1C
InChIInChI=1S/C8H11N3/c1-4-5-6-11-7(2)9-10-8(11)3/h4-6H,1H2,2-3H3/b6-5-
InChIKeySDYKKEGUNSFLDD-WAYWQWQTSA-N
XLogP1.55
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 ≤ 51.55
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-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
4-But-1-enyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 69991490
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
3-methyl-4-[(1Z)-3-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 89145136
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
carbanide;3-methyl-8H-[1,2,4]triazolo[4,3-a]pyridin-8-ide;tungsten(2+);yttrium
CID 91867234
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 118674639

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole (CID 143048748) is 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole is C=C/C=C\n1c(C)nnc1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole?
The InChIKey is SDYKKEGUNSFLDD-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-6-11-7(2)9-10-8(11)3/h4-6H,1H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole?
4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 143048748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).