6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide

C12H20N4O — CID 109109597

IUPAC6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C12H20N4O/c1-4-5-8-13-11-7-6-10(15-16-11)12(17)14-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyUORBFDKTEQAGQG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.83
Rot. Bonds6

About 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide

6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109597) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109597
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C12H20N4O/c1-4-5-8-13-11-7-6-10(15-16-11)12(17)14-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyUORBFDKTEQAGQG-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-octan-4-ylpyridazine-3-carboxamide
CID 106027867
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109109597) is 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide is CCCCNc1ccc(C(=O)NC(C)C)nn1.
What is the InChIKey of 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is UORBFDKTEQAGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-8-13-11-7-6-10(15-16-11)12(17)14-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide?
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).