5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole

C10H15N3 — CID 163702474

IUPAC5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole
SMILESCN1C=C(C2=CCCC=C2)NN1C
InChIInChI=1S/C10H15N3/c1-12-8-10(11-13(12)2)9-6-4-3-5-7-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyKCFPTJHONFKIFB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.40
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole

5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole (PubChem CID 163702474) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole
PubChem CID163702474
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole
SMILESCN1C=C(C2=CCCC=C2)NN1C
InChIInChI=1S/C10H15N3/c1-12-8-10(11-13(12)2)9-6-4-3-5-7-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyKCFPTJHONFKIFB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
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5-ethyl-2-methyl-2H-pyridin-1-amine
CID 418616
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
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2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
1-Methyl-1-(4-methylbenzene-5-id-1-yl)hydrazine;yttrium
CID 58512384
6-Tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 59640649
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
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2,6-ditert-butyl-1H-pyridazine
CID 69060860

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole (CID 163702474) is 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole is CN1C=C(C2=CCCC=C2)NN1C.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole?
The InChIKey is KCFPTJHONFKIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-12-8-10(11-13(12)2)9-6-4-3-5-7-9/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole?
5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole has a molecular weight of 177.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole is sourced from PubChem (CID 163702474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).