N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide

C11H18N4O — CID 104671449

IUPACN-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(N)CNC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H18N4O/c1-4-9(12)6-13-11(16)10-5-7(2)14-15-8(10)3/h5,9H,4,6,12H2,1-3H3,(H,13,16)
InChIKeyRZGRZRHZFUIWAE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds4

About N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671449) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671449
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(N)CNC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H18N4O/c1-4-9(12)6-13-11(16)10-5-7(2)14-15-8(10)3/h5,9H,4,6,12H2,1-3H3,(H,13,16)
InChIKeyRZGRZRHZFUIWAE-UHFFFAOYSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 113439190
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473920
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104671449) is N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide is CCC(N)CNC(=O)c1cc(C)nnc1C.
What is the InChIKey of N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is RZGRZRHZFUIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-9(12)6-13-11(16)10-5-7(2)14-15-8(10)3/h5,9H,4,6,12H2,1-3H3,(H,13,16).
What are the key properties of N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).