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

C12H19N3 — CID 144668194

IUPAC4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
SMILESCC.Cc1nnc(C)n1C1=CCCC=C1
InChIInChI=1S/C10H13N3.C2H6/c1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyUNKKPDYZTATHAG-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.11
Rot. Bonds1

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

4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane (PubChem CID 144668194) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
PubChem CID144668194
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
SMILESCC.Cc1nnc(C)n1C1=CCCC=C1
InChIInChI=1S/C10H13N3.C2H6/c1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyUNKKPDYZTATHAG-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]-5-(trifluoromethyl)-1,2,4-triazole
CID 141951063
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
2-(3,5-Dimethyl-1,2,4-triazol-1-yl)-4-ethenyl-6-methylidenepyridin-1-ide
CID 123725012
5-Ethenyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123987415
1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole
CID 131995245
(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine;ethane
CID 142265862
3,5-dimethyl-4-[(3E,5E,7Z)-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]-1,2,4-triazole
CID 142902860
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,2,4-triazole
CID 144409266
ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine
CID 144548795
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668192
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3,5-dimethyl-1,2,4-triazole
CID 153554069

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane (CID 144668194) is 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane is CC.Cc1nnc(C)n1C1=CCCC=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane?
The InChIKey is UNKKPDYZTATHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane?
4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane has a molecular weight of 205.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane is sourced from PubChem (CID 144668194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).