2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide

C6H8F2N4O — CID 175864468

IUPAC2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(F)(F)Cn1ncnc1C(N)=O
InChIInChI=1S/C6H8F2N4O/c1-6(7,8)2-12-5(4(9)13)10-3-11-12/h3H,2H2,1H3,(H2,9,13)
InChIKeyNTSANBPXWACXOC-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.03
Rot. Bonds3

About 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide

2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 175864468) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
PubChem CID175864468
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(F)(F)Cn1ncnc1C(N)=O
InChIInChI=1S/C6H8F2N4O/c1-6(7,8)2-12-5(4(9)13)10-3-11-12/h3H,2H2,1H3,(H2,9,13)
InChIKeyNTSANBPXWACXOC-UHFFFAOYSA-N
XLogP0.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
CID 155561111
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
CID 54067350
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
1-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]ethanone
CID 124109029

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide (CID 175864468) is 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide is CC(F)(F)Cn1ncnc1C(N)=O.
What is the InChIKey of 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is NTSANBPXWACXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-6(7,8)2-12-5(4(9)13)10-3-11-12/h3H,2H2,1H3,(H2,9,13).
What are the key properties of 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide?
2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 190.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).