3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane

C11H17N3 — CID 143936249

IUPAC3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane
SMILESCC.Cn1cnnc1C1=CCCC=C1
InChIInChI=1S/C9H11N3.C2H6/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2/h3,5-7H,2,4H2,1H3;1-2H3
InChIKeyQCXNHXLPAOUCSL-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.57
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane

3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane (PubChem CID 143936249) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane
PubChem CID143936249
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane
SMILESCC.Cn1cnnc1C1=CCCC=C1
InChIInChI=1S/C9H11N3.C2H6/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2/h3,5-7H,2,4H2,1H3;1-2H3
InChIKeyQCXNHXLPAOUCSL-UHFFFAOYSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Cyclohexa-1,5-dien-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89912468
5-Cyclohexa-1,5-dien-1-yl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)-1,2,4-triazole
CID 141273137
1-Methyl-3(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,4-triazole
CID 10932009
5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
N,N-dimethyl-3-(4-methyl-1,2,4-triazol-3-yl)benzene-4-id-1-amine;iridium
CID 57648579
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58518086
Iridium;4-methyl-3-phenyl-1,2,4-triazole
CID 59661348
CID 59806670
CID 59806670

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane (CID 143936249) is 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane is CC.Cn1cnnc1C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane?
The InChIKey is QCXNHXLPAOUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2/h3,5-7H,2,4H2,1H3;1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane?
3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane has a molecular weight of 191.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-4-methyl-1,2,4-triazole;ethane is sourced from PubChem (CID 143936249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).