N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C12H20N4O — CID 104671450

IUPACN-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC(N)CC
InChIInChI=1S/C12H20N4O/c1-4-9(13)7-14-12(17)10-6-8(3)15-16-11(10)5-2/h6,9H,4-5,7,13H2,1-3H3,(H,14,17)
InChIKeyLXQTVQMQHUYBHG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds5

About N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104671450) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104671450
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC(N)CC
InChIInChI=1S/C12H20N4O/c1-4-9(13)7-14-12(17)10-6-8(3)15-16-11(10)5-2/h6,9H,4-5,7,13H2,1-3H3,(H,14,17)
InChIKeyLXQTVQMQHUYBHG-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671379
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104671450) is N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCC(N)CC.
What is the InChIKey of N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is LXQTVQMQHUYBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9(13)7-14-12(17)10-6-8(3)15-16-11(10)5-2/h6,9H,4-5,7,13H2,1-3H3,(H,14,17).
What are the key properties of N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).