3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide

C12H17F3N4O2 — CID 167838598

IUPAC3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCN(C)CC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N4O2/c1-7-8(2)17-18-11(21)9(7)10(20)16-4-5-19(3)6-12(13,14)15/h4-6H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyMGFHTDPVIOZGGQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.61
Rot. Bonds5

About 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide

3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 167838598) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID167838598
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCN(C)CC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N4O2/c1-7-8(2)17-18-11(21)9(7)10(20)16-4-5-19(3)6-12(13,14)15/h4-6H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyMGFHTDPVIOZGGQ-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide (CID 167838598) is 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCCN(C)CC(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is MGFHTDPVIOZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-7-8(2)17-18-11(21)9(7)10(20)16-4-5-19(3)6-12(13,14)15/h4-6H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 167838598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).