N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide

C7H10F2N4O2 — CID 107482886

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(CCO)CC(F)F
InChIInChI=1S/C7H10F2N4O2/c8-6(9)4-13(1-2-14)7(15)5-3-10-12-11-5/h3,6,14H,1-2,4H2,(H,10,11,12)
InChIKeyDKSOWYMGJYUURZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.50
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide (PubChem CID 107482886) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide
PubChem CID107482886
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(CCO)CC(F)F
InChIInChI=1S/C7H10F2N4O2/c8-6(9)4-13(1-2-14)7(15)5-3-10-12-11-5/h3,6,14H,1-2,4H2,(H,10,11,12)
InChIKeyDKSOWYMGJYUURZ-UHFFFAOYSA-N
XLogP-0.50
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014
1-(2-aminoethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 65945699
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78942019
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78970338
N-methyl-N-(3,3,3-trifluoropropyl)-2H-triazole-4-carboxamide
CID 78970370
N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78970666
N-butyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78983200
N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78984903
N-ethyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78988551
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78988652

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide (CID 107482886) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide?
The InChIKey is DKSOWYMGJYUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-6(9)4-13(1-2-14)7(15)5-3-10-12-11-5/h3,6,14H,1-2,4H2,(H,10,11,12).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide has a molecular weight of 220.18 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 107482886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).