6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C12H18F2N4O — CID 145225608

IUPAC6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCC(C)(C)C(F)(F)C1CCc2nnc(C(N)=O)n2C1
InChIInChI=1S/C12H18F2N4O/c1-11(2,3)12(13,14)7-4-5-8-16-17-10(9(15)19)18(8)6-7/h7H,4-6H2,1-3H3,(H2,15,19)
InChIKeyWDAVUXJXDYMRJE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds2

About 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 145225608) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID145225608
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCC(C)(C)C(F)(F)C1CCc2nnc(C(N)=O)n2C1
InChIInChI=1S/C12H18F2N4O/c1-11(2,3)12(13,14)7-4-5-8-16-17-10(9(15)19)18(8)6-7/h7H,4-6H2,1-3H3,(H2,15,19)
InChIKeyWDAVUXJXDYMRJE-UHFFFAOYSA-N
XLogP1.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114194
3-[[4,4-Dimethylpentyl(methyl)amino]methyl]-7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 132392013
1-ethyl-N-methyl-N-{[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}cyclopropane-1-carboxamide
CID 136560297
6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 132182489
6-(1,1,2,2,2-Pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 149153968
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-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414
2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 53593817
2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 56780121

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 145225608) is 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is CC(C)(C)C(F)(F)C1CCc2nnc(C(N)=O)n2C1.
What is the InChIKey of 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is WDAVUXJXDYMRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-11(2,3)12(13,14)7-4-5-8-16-17-10(9(15)19)18(8)6-7/h7H,4-6H2,1-3H3,(H2,15,19).
What are the key properties of 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 145225608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).