N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide

C10H7F3N4O — CID 110487427

IUPACN-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)Nc1ncn[nH]1
InChIInChI=1S/C10H7F3N4O/c11-6-2-1-5(8(12)9(6)13)3-7(18)16-10-14-4-15-17-10/h1-2,4H,3H2,(H2,14,15,16,17,18)
InChIKeyVUXDPFWYUKCZQR-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.40
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide

N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 110487427) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID110487427
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)Nc1ncn[nH]1
InChIInChI=1S/C10H7F3N4O/c11-6-2-1-5(8(12)9(6)13)3-7(18)16-10-14-4-15-17-10/h1-2,4H,3H2,(H2,14,15,16,17,18)
InChIKeyVUXDPFWYUKCZQR-UHFFFAOYSA-N
XLogP1.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487509
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 110490393
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
3-(2-bromo-5-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 75503635
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
4-bromo-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phenyl]benzamide
CID 60506877
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide (CID 110487427) is N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1F)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VUXDPFWYUKCZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-6-2-1-5(8(12)9(6)13)3-7(18)16-10-14-4-15-17-10/h1-2,4H,3H2,(H2,14,15,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide?
N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 256.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 110487427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).