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

C14H20F2N4O — CID 175395403

IUPAC2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)n(CC2CC2)n1
InChIInChI=1S/C14H20F2N4O/c1-9-17-12(20(19-9)8-10-2-3-10)13(21)18-11-4-6-14(15,16)7-5-11/h10-11H,2-8H2,1H3,(H,18,21)
InChIKeyJZGPAMWWBRYODK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.30
Rot. Bonds4

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

2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 175395403) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID175395403
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)n(CC2CC2)n1
InChIInChI=1S/C14H20F2N4O/c1-9-17-12(20(19-9)8-10-2-3-10)13(21)18-11-4-6-14(15,16)7-5-11/h10-11H,2-8H2,1H3,(H,18,21)
InChIKeyJZGPAMWWBRYODK-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608672
N-{[3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72920556
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 128603890
5-cyclopropyl-2-methyl-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazole-3-carboxamide
CID 129507962
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
N-[(1S,2S)-2-fluorocyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 164634953
N-methyl-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 132182643
5-bromo-N-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 162752999
2-(Cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175395400
5-[(4,4-Difluorocyclohexyl)methyl]-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 175395411
N-(4,4-difluorocyclohexyl)-5-methyl-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 175395413

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 175395403) is 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC2CCC(F)(F)CC2)n(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JZGPAMWWBRYODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-9-17-12(20(19-9)8-10-2-3-10)13(21)18-11-4-6-14(15,16)7-5-11/h10-11H,2-8H2,1H3,(H,18,21).
What are the key properties of 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide?
2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(4,4-difluorocyclohexyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175395403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).