N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide

C6H8F2N4O — CID 130660783

IUPACN-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide
SMILESCn1nncc1C(=O)NCC(F)F
InChIInChI=1S/C6H8F2N4O/c1-12-4(2-10-11-12)6(13)9-3-5(7)8/h2,5H,3H2,1H3,(H,9,13)
InChIKeyIQMHCULELGQFPB-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.19
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide

N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide (PubChem CID 130660783) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide
PubChem CID130660783
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC NameN-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide
SMILESCn1nncc1C(=O)NCC(F)F
InChIInChI=1S/C6H8F2N4O/c1-12-4(2-10-11-12)6(13)9-3-5(7)8/h2,5H,3H2,1H3,(H,9,13)
InChIKeyIQMHCULELGQFPB-UHFFFAOYSA-N
XLogP-0.19
TPSA59.81 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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluorocyclopropyl)-N-[1-(propan-2-yl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132220021
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N-(2-aminoethyl)-1-heptyltriazole-4-carboxamide;hydrochloride
CID 137658082
1-cyclopropyl-N-(3-(dimethylamino)propyl)-1H-1,2,3-triazole-4-carboxamide
CID 132210955
1-cyclopropyl-N-(1-methylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219936
1-(2-aminoethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide hydrochloride
CID 165941891
N-(4-(diisopropylamino)but-2-yn-1-yl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 71792507
1-(3-azetanyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 79316266
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
1-(2-aminoethyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 70731313
3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide
CID 126770697
1-Trifluoromethyltriazolyl-4-carboxamide
CID 69627946

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide (CID 130660783) is N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide is Cn1nncc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide?
The InChIKey is IQMHCULELGQFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-12-4(2-10-11-12)6(13)9-3-5(7)8/h2,5H,3H2,1H3,(H,9,13).
What are the key properties of N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide?
N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide has a molecular weight of 190.15 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide is sourced from PubChem (CID 130660783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).