N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide

C7H10F2N4O2 — CID 103082583

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCOCC(F)F)c1cn[nH]n1
InChIInChI=1S/C7H10F2N4O2/c8-6(9)4-15-2-1-10-7(14)5-3-11-13-12-5/h3,6H,1-2,4H2,(H,10,14)(H,11,12,13)
InChIKeyKZFPOVJKCIGTFZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.18
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide

N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide (PubChem CID 103082583) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide
PubChem CID103082583
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCOCC(F)F)c1cn[nH]n1
InChIInChI=1S/C7H10F2N4O2/c8-6(9)4-15-2-1-10-7(14)5-3-11-13-12-5/h3,6H,1-2,4H2,(H,10,14)(H,11,12,13)
InChIKeyKZFPOVJKCIGTFZ-UHFFFAOYSA-N
XLogP-0.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N-cyclopropyl-1H-1,2,3-triazole-5-carboxamide
CID 61069826
N-(1,4-dioxan-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146806
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
N-(3-isopropoxypropyl)-1H-1,2,3-triazole-5-carboxamide
CID 91624323
2-[[2-(Trifluoromethyl)triazole-4-carbonyl]amino]ethyl nitrate
CID 23053864
3-[2-(Difluoromethoxy)ethyl]triazole-4-carboxamide
CID 175864548
1-[2-(2,2,2-Trifluoroethoxy)ethyl]triazole-4-carbohydrazide
CID 63588700
1-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carboxamide
CID 65945342
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 66288366
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78942019

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide (CID 103082583) is N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide is O=C(NCCOCC(F)F)c1cn[nH]n1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is KZFPOVJKCIGTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-6(9)4-15-2-1-10-7(14)5-3-11-13-12-5/h3,6H,1-2,4H2,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 220.18 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 103082583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).