5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide

C10H14F2N4O — CID 175584216

IUPAC5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide
SMILESCn1nc(C(N)=O)c(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H14F2N4O/c1-16-14-7(8(15-16)9(13)17)6-2-4-10(11,12)5-3-6/h6H,2-5H2,1H3,(H2,13,17)
InChIKeyFDVOLRGPIJUGAS-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.21
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide

5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide (PubChem CID 175584216) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide
PubChem CID175584216
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide
SMILESCn1nc(C(N)=O)c(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H14F2N4O/c1-16-14-7(8(15-16)9(13)17)6-2-4-10(11,12)5-3-6/h6H,2-5H2,1H3,(H2,13,17)
InChIKeyFDVOLRGPIJUGAS-UHFFFAOYSA-N
XLogP1.21
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide (CID 175584216) is 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide is Cn1nc(C(N)=O)c(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide?
The InChIKey is FDVOLRGPIJUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-16-14-7(8(15-16)9(13)17)6-2-4-10(11,12)5-3-6/h6H,2-5H2,1H3,(H2,13,17).
What are the key properties of 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide?
5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 175584216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).