N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide

C17H21FN4O2 — CID 121078525

IUPACN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C17H21FN4O2/c1-2-3-15(23)19-10-11-21-17(24)22(14-8-9-14)16(20-21)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyHFHHJAODPZAIIY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.10
Rot. Bonds7

About N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide

N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide (PubChem CID 121078525) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide
PubChem CID121078525
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C17H21FN4O2/c1-2-3-15(23)19-10-11-21-17(24)22(14-8-9-14)16(20-21)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyHFHHJAODPZAIIY-UHFFFAOYSA-N
XLogP2.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide?
The IUPAC name of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide (CID 121078525) is N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide is CCCC(=O)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O.
What is the InChIKey of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide?
The InChIKey is HFHHJAODPZAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-3-15(23)19-10-11-21-17(24)22(14-8-9-14)16(20-21)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide?
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide has a molecular weight of 332.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]butanamide is sourced from PubChem (CID 121078525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).