3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole

C10H16FN3 — CID 142265865

IUPAC3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(C2CCC(F)CC2)n1C
InChIInChI=1S/C10H16FN3/c1-7-12-13-10(14(7)2)8-3-5-9(11)6-4-8/h8-9H,3-6H2,1-2H3
InChIKeyWMWRAGJLZPWCPO-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.12
Rot. Bonds1

About 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole

3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole (PubChem CID 142265865) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
PubChem CID142265865
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(C2CCC(F)CC2)n1C
InChIInChI=1S/C10H16FN3/c1-7-12-13-10(14(7)2)8-3-5-9(11)6-4-8/h8-9H,3-6H2,1-2H3
InChIKeyWMWRAGJLZPWCPO-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 71999747
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
3-Fluoro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377793
7-Butan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 163390467
5-Dodecan-6-yl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 169602953
3-(1-Fluoroethyl)-1-methyl-5-pentan-3-yl-1,2,4-triazole
CID 170383493
3-(Difluoromethyl)-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 170928371
3-Bromo-5-(4,4-difluorocyclohexyl)-1-methyl-1,2,4-triazole
CID 171075772
4-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 176691959

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole (CID 142265865) is 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole is Cc1nnc(C2CCC(F)CC2)n1C.
What is the InChIKey of 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole?
The InChIKey is WMWRAGJLZPWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-7-12-13-10(14(7)2)8-3-5-9(11)6-4-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole?
3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole has a molecular weight of 197.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 142265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).