N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide

C14H16F3N5O — CID 128767171

IUPACN-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
SMILESCN(C(=O)c1ccc2n[nH]nc2n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N5O/c1-22(9-4-2-8(3-5-9)14(15,16)17)13(23)11-7-6-10-12(18-11)20-21-19-10/h6-9H,2-5H2,1H3,(H,18,19,20,21)
InChIKeyWCYZFZQMRWOTEH-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.55
Rot. Bonds2

About N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide

N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 128767171) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
PubChem CID128767171
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide
SMILESCN(C(=O)c1ccc2n[nH]nc2n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N5O/c1-22(9-4-2-8(3-5-9)14(15,16)17)13(23)11-7-6-10-12(18-11)20-21-19-10/h6-9H,2-5H2,1H3,(H,18,19,20,21)
InChIKeyWCYZFZQMRWOTEH-UHFFFAOYSA-N
XLogP2.55
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126808400
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
CID 119442428
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
N-cyclohexyl-N-methyl-1,8-naphthyridine-2-carboxamide
CID 70289942
N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126809231
N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
6-chloro-N-cyclopropyl-N-methylpyrazine-2-carboxamide
CID 103187185
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
CID 115277407
N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide
CID 131089125

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide (CID 128767171) is N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide is CN(C(=O)c1ccc2n[nH]nc2n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is WCYZFZQMRWOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-22(9-4-2-8(3-5-9)14(15,16)17)13(23)11-7-6-10-12(18-11)20-21-19-10/h6-9H,2-5H2,1H3,(H,18,19,20,21).
What are the key properties of N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide?
N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2H-triazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 128767171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).