N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C12H16F3N3O3 — CID 103857328

IUPACN-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCO)CC(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-2-5-18-10(20)4-3-9(16-18)11(21)17(6-7-19)8-12(13,14)15/h3-4,19H,2,5-8H2,1H3
InChIKeyPZTDUNVOKDSNGS-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.65
Rot. Bonds6

About N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 103857328) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID103857328
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC NameN-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCO)CC(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-2-5-18-10(20)4-3-9(16-18)11(21)17(6-7-19)8-12(13,14)15/h3-4,19H,2,5-8H2,1H3
InChIKeyPZTDUNVOKDSNGS-UHFFFAOYSA-N
XLogP0.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
6-oxo-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 53510708
2-(3-Methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one
CID 75432332
2-[(1-Methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990612
6-Methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
CID 86818472
1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
CID 86833465
2-[(2S)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824500
2-[(2R)-2-hydroxybutyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99824501
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 103857328) is N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCCn1nc(C(=O)N(CCO)CC(F)(F)F)ccc1=O.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is PZTDUNVOKDSNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-2-5-18-10(20)4-3-9(16-18)11(21)17(6-7-19)8-12(13,14)15/h3-4,19H,2,5-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 307.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 103857328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).