4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine

C10H17N3O — CID 106895756

IUPAC4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESCOCCCCNCc1cccnn1
InChIInChI=1S/C10H17N3O/c1-14-8-3-2-6-11-9-10-5-4-7-12-13-10/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyRPAKBOUGTVTBND-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds7

About 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine

4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine (PubChem CID 106895756) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
PubChem CID106895756
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESCOCCCCNCc1cccnn1
InChIInChI=1S/C10H17N3O/c1-14-8-3-2-6-11-9-10-5-4-7-12-13-10/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyRPAKBOUGTVTBND-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895580
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine?
The IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine (CID 106895756) is 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine is COCCCCNCc1cccnn1.
What is the InChIKey of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine?
The InChIKey is RPAKBOUGTVTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-8-3-2-6-11-9-10-5-4-7-12-13-10/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine?
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106895756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).