4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide

C14H22F2N4O — CID 75505744

IUPAC4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2CCC(F)(F)CC2)n1C
InChIInChI=1S/C14H22F2N4O/c1-9(2)12-19-18-11(20(12)3)8-17-13(21)10-4-6-14(15,16)7-5-10/h9-10H,4-8H2,1-3H3,(H,17,21)
InChIKeyZOWAQCVLDWPQDL-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.38
Rot. Bonds4

About 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 75505744) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID75505744
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2CCC(F)(F)CC2)n1C
InChIInChI=1S/C14H22F2N4O/c1-9(2)12-19-18-11(20(12)3)8-17-13(21)10-4-6-14(15,16)7-5-10/h9-10H,4-8H2,1-3H3,(H,17,21)
InChIKeyZOWAQCVLDWPQDL-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanecarboxamide
CID 24246369
3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47228592
3-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71836697
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcyclohexanecarboxamide
CID 53500162
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 75504256
N-[[(3R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95216280
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 136531551
2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136560299
5-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]heptan-1-one
CID 123760905
(3-ethylpiperidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134275583

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 75505744) is 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide is CC(C)c1nnc(CNC(=O)C2CCC(F)(F)CC2)n1C.
What is the InChIKey of 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZOWAQCVLDWPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-9(2)12-19-18-11(20(12)3)8-17-13(21)10-4-6-14(15,16)7-5-10/h9-10H,4-8H2,1-3H3,(H,17,21).
What are the key properties of 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75505744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).