3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C7H10F2N4O — CID 132970373

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

About 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 132970373) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID132970373
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ncn[nH]1)C(F)F
InChIInChI=1S/C7H10F2N4O/c1-7(2,4(8)9)5(14)12-6-10-3-11-13-6/h3-4H,1-2H3,(H2,10,11,12,13,14)
InChIKeyDRMQKNIJSPOYJO-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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 132970373) is 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is CC(C)(C(=O)Nc1ncn[nH]1)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is DRMQKNIJSPOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-7(2,4(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-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide 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-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 132970373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).