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

C5H6F2N4O — CID 175864494

IUPAC2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CC(F)F
InChIInChI=1S/C5H6F2N4O/c6-3(7)1-11-5(4(8)12)9-2-10-11/h2-3H,1H2,(H2,8,12)
InChIKeySKXIPZRPHIZSJL-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.36
Rot. Bonds3

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

2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 175864494) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
PubChem CID175864494
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CC(F)F
InChIInChI=1S/C5H6F2N4O/c6-3(7)1-11-5(4(8)12)9-2-10-11/h2-3H,1H2,(H2,8,12)
InChIKeySKXIPZRPHIZSJL-UHFFFAOYSA-N
XLogP-0.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
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
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
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
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide (CID 175864494) is 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncnn1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SKXIPZRPHIZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-3(7)1-11-5(4(8)12)9-2-10-11/h2-3H,1H2,(H2,8,12).
What are the key properties of 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide?
2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 176.13 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).