1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide

C13H18F3N3O2 — CID 86833465

IUPAC1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CCC(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N3O2/c1-3-4-8-19-11(20)6-5-10(17-19)12(21)18(2)9-7-13(14,15)16/h5-6H,3-4,7-9H2,1-2H3
InChIKeyDJWWJDNUQSLMGE-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.07
Rot. Bonds6

About 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide

1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide (PubChem CID 86833465) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
PubChem CID86833465
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CCC(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N3O2/c1-3-4-8-19-11(20)6-5-10(17-19)12(21)18(2)9-7-13(14,15)16/h5-6H,3-4,7-9H2,1-2H3
InChIKeyDJWWJDNUQSLMGE-UHFFFAOYSA-N
XLogP2.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443192
N-cyclopentyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
CID 52218181
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
4-[6-Oxo-3-(trifluoromethyl)pyridazin-1-yl]butanenitrile
CID 84589526
N-cyclobutyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 132383259
2-ethyl-6-[(2S)-2-(trifluoromethyl)azepane-1-carbonyl]pyridazin-3-one
CID 164630542
2-(2-Fluoroethyl)-6-methylpyridazin-3-one
CID 59803334
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
4-[(Dimethylamino)methyl]-2-(2-methylpropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride
CID 174421172
4-[(Dimethylamino)methyl]-2-(2-methylpropyl)-6-(trifluoromethyl)pyridazin-3-one
CID 174421173

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide (CID 86833465) is 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)CCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The InChIKey is DJWWJDNUQSLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-4-8-19-11(20)6-5-10(17-19)12(21)18(2)9-7-13(14,15)16/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-6-oxo-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 86833465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).