N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C10H13F3N4O — CID 56789296

IUPACN-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)n1cncn1
InChIInChI=1S/C10H13F3N4O/c1-7(17-6-14-5-15-17)9(18)16(8-2-3-8)4-10(11,12)13/h5-8H,2-4H2,1H3
InChIKeyKFDGIMQYSYMYIF-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 56789296) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID56789296
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)n1cncn1
InChIInChI=1S/C10H13F3N4O/c1-7(17-6-14-5-15-17)9(18)16(8-2-3-8)4-10(11,12)13/h5-8H,2-4H2,1H3
InChIKeyKFDGIMQYSYMYIF-UHFFFAOYSA-N
XLogP1.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 56789296) is N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(F)(F)F)C1CC1)n1cncn1.
What is the InChIKey of N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KFDGIMQYSYMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-7(17-6-14-5-15-17)9(18)16(8-2-3-8)4-10(11,12)13/h5-8H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 262.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 56789296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).