N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide

C6H8F2N4O2 — CID 104857347

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cn[nH]n1
InChIInChI=1S/C6H8F2N4O2/c7-6(8,3-13)2-9-5(14)4-1-10-12-11-4/h1,13H,2-3H2,(H,9,14)(H,10,11,12)
InChIKeyVPQNPWUFKWEFIR-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.84
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide (PubChem CID 104857347) has the molecular formula C6H8F2N4O2 and a molecular weight of 206.15 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide
PubChem CID104857347
Molecular FormulaC6H8F2N4O2
Molecular Weight206.15 g/mol
Exact Mass206.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cn[nH]n1
InChIInChI=1S/C6H8F2N4O2/c7-6(8,3-13)2-9-5(14)4-1-10-12-11-4/h1,13H,2-3H2,(H,9,14)(H,10,11,12)
InChIKeyVPQNPWUFKWEFIR-UHFFFAOYSA-N
XLogP-0.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2H-triazole-4-carboxamide
CID 79038825
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
CID 103824821
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
N-propyl-2H-triazole-4-carboxamide
CID 54219715
2H-triazole-4-carbohydrazide
CID 50989778
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-1,2,4-triazole-5-carboxamide
CID 106176993
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-benzyl-2H-triazole-4-carboxamide
CID 47334751

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide (CID 104857347) is N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide is O=C(NCC(F)(F)CO)c1cn[nH]n1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide?
The InChIKey is VPQNPWUFKWEFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2/c7-6(8,3-13)2-9-5(14)4-1-10-12-11-4/h1,13H,2-3H2,(H,9,14)(H,10,11,12).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide has a molecular weight of 206.15 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 104857347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).