N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

C11H18N4O — CID 104668957

IUPACN-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c(C)nn1
InChIInChI=1S/C11H18N4O/c1-7(4-5-12)13-11(16)10-6-8(2)14-15-9(10)3/h6-7H,4-5,12H2,1-3H3,(H,13,16)
InChIKeyDRKSQYVFTHMNKI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds4

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

N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104668957) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104668957
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c(C)nn1
InChIInChI=1S/C11H18N4O/c1-7(4-5-12)13-11(16)10-6-8(2)14-15-9(10)3/h6-7H,4-5,12H2,1-3H3,(H,13,16)
InChIKeyDRKSQYVFTHMNKI-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-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
N-(1-bromo-3-methylbutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104672746
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (CID 104668957) is N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC(C)CCN)c(C)nn1.
What is the InChIKey of N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is DRKSQYVFTHMNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(4-5-12)13-11(16)10-6-8(2)14-15-9(10)3/h6-7H,4-5,12H2,1-3H3,(H,13,16).
What are the key properties of N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-aminobutan-2-yl)-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-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).