N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide

C13H17F5N4O — CID 175395373

IUPACN-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESCc1nnn(CCC(F)(F)F)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C13H17F5N4O/c1-8-10(22(21-20-8)7-6-13(16,17)18)11(23)19-9-2-4-12(14,15)5-3-9/h9H,2-7H2,1H3,(H,19,23)
InChIKeyFBMBOGYDXDMLJP-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.85
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide (PubChem CID 175395373) has the molecular formula C13H17F5N4O and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
PubChem CID175395373
Molecular FormulaC13H17F5N4O
Molecular Weight340.30 g/mol
Exact Mass340.13
IUPAC NameN-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESCc1nnn(CCC(F)(F)F)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C13H17F5N4O/c1-8-10(22(21-20-8)7-6-13(16,17)18)11(23)19-9-2-4-12(14,15)5-3-9/h9H,2-7H2,1H3,(H,19,23)
InChIKeyFBMBOGYDXDMLJP-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide (CID 175395373) is N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide is Cc1nnn(CCC(F)(F)F)c1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The InChIKey is FBMBOGYDXDMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5N4O/c1-8-10(22(21-20-8)7-6-13(16,17)18)11(23)19-9-2-4-12(14,15)5-3-9/h9H,2-7H2,1H3,(H,19,23).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-methyl-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide is sourced from PubChem (CID 175395373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).