N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

C12H17F3N4O — CID 107493584

IUPACN-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-3-10-9(6-8(2)17-18-10)11(20)19(5-4-16)7-12(13,14)15/h6H,3-5,7,16H2,1-2H3
InChIKeyCTEBSUXHHVIGSX-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.31
Rot. Bonds5

About N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (PubChem CID 107493584) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
PubChem CID107493584
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-3-10-9(6-8(2)17-18-10)11(20)19(5-4-16)7-12(13,14)15/h6H,3-5,7,16H2,1-2H3
InChIKeyCTEBSUXHHVIGSX-UHFFFAOYSA-N
XLogP1.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (CID 107493584) is N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The InChIKey is CTEBSUXHHVIGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-3-10-9(6-8(2)17-18-10)11(20)19(5-4-16)7-12(13,14)15/h6H,3-5,7,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 107493584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).