2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide

C14H20F2N4O — CID 175395400

IUPAC2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(CC2CCC(F)(F)CC2)nn1CC1CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)5-3-9(4-6-14)7-11-18-13(12(17)21)20(19-11)8-10-1-2-10/h9-10H,1-8H2,(H2,17,21)
InChIKeyJPIXMIPMJTYIPP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds5

About 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide

2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 175395400) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID175395400
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(CC2CCC(F)(F)CC2)nn1CC1CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)5-3-9(4-6-14)7-11-18-13(12(17)21)20(19-11)8-10-1-2-10/h9-10H,1-8H2,(H2,17,21)
InChIKeyJPIXMIPMJTYIPP-UHFFFAOYSA-N
XLogP2.15
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139296120
1-[(4,4-Difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 157566266
2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 175395403
5-[(4,4-Difluorocyclohexyl)methyl]-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 175395411
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3,3-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397026
2-(3,3-Difluorobutyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175397158
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397358
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397373
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide (CID 175395400) is 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1nc(CC2CCC(F)(F)CC2)nn1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is JPIXMIPMJTYIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c15-14(16)5-3-9(4-6-14)7-11-18-13(12(17)21)20(19-11)8-10-1-2-10/h9-10H,1-8H2,(H2,17,21).
What are the key properties of 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide?
2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175395400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).