4-(aminomethyl)-N-butylpyridazin-3-amine

C9H16N4 — CID 46848812

IUPAC4-(aminomethyl)-N-butylpyridazin-3-amine
SMILESCCCCNc1nnccc1CN
InChIInChI=1S/C9H16N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5,7,10H2,1H3,(H,11,13)
InChIKeyGHLVNGAIGCGSOM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds5

About 4-(aminomethyl)-N-butylpyridazin-3-amine

4-(aminomethyl)-N-butylpyridazin-3-amine (PubChem CID 46848812) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butylpyridazin-3-amine
PubChem CID46848812
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(aminomethyl)-N-butylpyridazin-3-amine
SMILESCCCCNc1nnccc1CN
InChIInChI=1S/C9H16N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5,7,10H2,1H3,(H,11,13)
InChIKeyGHLVNGAIGCGSOM-UHFFFAOYSA-N
XLogP1.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
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

3-(Piperazin-1-yl)pyridazine
CID 11064965
5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227158
N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
CID 54594801
N-methylpyridazin-3-amine
CID 19831906
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-Cyclopropylpyridazin-3-amine
CID 62482225
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
CID 94476470
3-(Methylamino)pyridazine-4-carbonitrile
CID 46848635
N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide
CID 54593964
N1-(pyridazin-3-yl)ethane-1,2-diamine dihydrochloride
CID 121209039
4-(aminomethyl)-N,N'-diethylpyridazine-3,5-diamine
CID 46848634
N-ethylpyridazin-3-amine
CID 12446652

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-butylpyridazin-3-amine (CID 46848812) is 4-(aminomethyl)-N-butylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-butylpyridazin-3-amine is CCCCNc1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-butylpyridazin-3-amine?
The InChIKey is GHLVNGAIGCGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5,7,10H2,1H3,(H,11,13).
What are the key properties of 4-(aminomethyl)-N-butylpyridazin-3-amine?
4-(aminomethyl)-N-butylpyridazin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butylpyridazin-3-amine is sourced from PubChem (CID 46848812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).