3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide

C7H10F2N4O — CID 131153934

IUPAC3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(C(=O)Nc1ncn[nH]1)C(C)(F)F
InChIInChI=1S/C7H10F2N4O/c1-4(7(2,8)9)5(14)12-6-10-3-11-13-6/h3-4H,1-2H3,(H2,10,11,12,13,14)
InChIKeyCMVRMCAJSPKSBF-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.03
Rot. Bonds3

About 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide

3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 131153934) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID131153934
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(C(=O)Nc1ncn[nH]1)C(C)(F)F
InChIInChI=1S/C7H10F2N4O/c1-4(7(2,8)9)5(14)12-6-10-3-11-13-6/h3-4H,1-2H3,(H2,10,11,12,13,14)
InChIKeyCMVRMCAJSPKSBF-UHFFFAOYSA-N
XLogP1.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 3094068
N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
CID 658670
2,2,3,3,4,4,4-Heptafluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1915836
N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
N-(4H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
CID 53015132
N-(4H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 53015133
3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
CID 126792636
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 166528986
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 167239470
2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4065409
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4451054

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 131153934) is 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide is CC(C(=O)Nc1ncn[nH]1)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is CMVRMCAJSPKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-4(7(2,8)9)5(14)12-6-10-3-11-13-6/h3-4H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide?
3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 204.18 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 131153934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).