6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide

C13H22N4O — CID 102913837

IUPAC6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
SMILESCC(C)C(CNc1ccc(C(N)=O)nn1)C(C)C
InChIInChI=1S/C13H22N4O/c1-8(2)10(9(3)4)7-15-12-6-5-11(13(14)18)16-17-12/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,15,17)
InChIKeyOJWTYSWZKWJSIU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds6

About 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide

6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide (PubChem CID 102913837) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
PubChem CID102913837
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
SMILESCC(C)C(CNc1ccc(C(N)=O)nn1)C(C)C
InChIInChI=1S/C13H22N4O/c1-8(2)10(9(3)4)7-15-12-6-5-11(13(14)18)16-17-12/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,15,17)
InChIKeyOJWTYSWZKWJSIU-UHFFFAOYSA-N
XLogP1.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
CID 115667657
6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
CID 96520494
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
CID 106185340
6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
CID 79098153
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
CID 113246651
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide (CID 102913837) is 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide is CC(C)C(CNc1ccc(C(N)=O)nn1)C(C)C.
What is the InChIKey of 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide?
The InChIKey is OJWTYSWZKWJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)10(9(3)4)7-15-12-6-5-11(13(14)18)16-17-12/h5-6,8-10H,7H2,1-4H3,(H2,14,18)(H,15,17).
What are the key properties of 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide?
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 102913837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).