4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine

C10H16F2N4 — CID 176691851

IUPAC4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine
SMILESCc1nc(C2CCN(C)CC2)nn1C(F)F
InChIInChI=1S/C10H16F2N4/c1-7-13-9(14-16(7)10(11)12)8-3-5-15(2)6-4-8/h8,10H,3-6H2,1-2H3
InChIKeyBMIJFEAFJPSDPS-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.79
Rot. Bonds2

About 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine

4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine (PubChem CID 176691851) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine
PubChem CID176691851
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine
SMILESCc1nc(C2CCN(C)CC2)nn1C(F)F
InChIInChI=1S/C10H16F2N4/c1-7-13-9(14-16(7)10(11)12)8-3-5-15(2)6-4-8/h8,10H,3-6H2,1-2H3
InChIKeyBMIJFEAFJPSDPS-UHFFFAOYSA-N
XLogP1.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine 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

1-(Cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 53609801
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77085462
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 59741061
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 67977973
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
3-Methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355367
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 83866403

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine (CID 176691851) is 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine is Cc1nc(C2CCN(C)CC2)nn1C(F)F.
What is the InChIKey of 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine?
The InChIKey is BMIJFEAFJPSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-13-9(14-16(7)10(11)12)8-3-5-15(2)6-4-8/h8,10H,3-6H2,1-2H3.
What are the key properties of 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine?
4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine has a molecular weight of 230.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine is sourced from PubChem (CID 176691851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).