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N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

C15H14F2N4O2 — CID 135868900

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)NC1CC1
InChIInChI=1S/C15H14F2N4O2/c16-10-4-1-8(7-11(10)17)14-19-15(23)12(20-21-14)5-6-13(22)18-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,18,22)(H,19,21,23)
InChIKeySERYGASINRTETD-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.32
Rot. Bonds5

About N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135868900) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135868900
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC NameN-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)NC1CC1
InChIInChI=1S/C15H14F2N4O2/c16-10-4-1-8(7-11(10)17)14-19-15(23)12(20-21-14)5-6-13(22)18-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,18,22)(H,19,21,23)
InChIKeySERYGASINRTETD-UHFFFAOYSA-N
XLogP1.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135868900) is N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is O=C(CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is SERYGASINRTETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-10-4-1-8(7-11(10)17)14-19-15(23)12(20-21-14)5-6-13(22)18-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,18,22)(H,19,21,23).
What are the key properties of N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 320.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135868900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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