3-butoxypyridazin-4-amine

C8H13N3O — CID 86147156

IUPAC3-butoxypyridazin-4-amine
SMILESCCCCOc1nnccc1N
InChIInChI=1S/C8H13N3O/c1-2-3-6-12-8-7(9)4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H2,9,10)
InChIKeyIPWLIZOJHJGMDO-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds4

About 3-butoxypyridazin-4-amine

3-butoxypyridazin-4-amine (PubChem CID 86147156) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-butoxypyridazin-4-amine.

Molecular Properties

Compound Name3-butoxypyridazin-4-amine
PubChem CID86147156
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-butoxypyridazin-4-amine
SMILESCCCCOc1nnccc1N
InChIInChI=1S/C8H13N3O/c1-2-3-6-12-8-7(9)4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H2,9,10)
InChIKeyIPWLIZOJHJGMDO-UHFFFAOYSA-N
XLogP1.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
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

5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
2-(2-butoxyethoxy)-6-chloropyridin-3-amine
CID 115474476
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
3-(2-propoxyethoxy)pyridazine-4-carbothioamide
CID 80512552
6-hexoxy-2-propoxypyridin-3-amine
CID 43262487
2-butoxy-3,5-dichloropyridin-4-amine
CID 21388649
3-(3-methoxypropoxy)pyridazine-4-carbothioamide
CID 80512547
4-pentylpyridazin-3-amine
CID 69188714
3-(4-butylphenoxy)pyridazine-4-carbothioamide
CID 115492623
2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
CID 43262507
1-butoxy-4-(2,6-dimethylphenyl)phthalazine
CID 58326573
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402

Frequently Asked Questions

What is the IUPAC name of 3-butoxypyridazin-4-amine?
The IUPAC name of 3-butoxypyridazin-4-amine (CID 86147156) is 3-butoxypyridazin-4-amine.
What is the SMILES notation for 3-butoxypyridazin-4-amine?
The canonical SMILES for 3-butoxypyridazin-4-amine is CCCCOc1nnccc1N.
What is the InChIKey of 3-butoxypyridazin-4-amine?
The InChIKey is IPWLIZOJHJGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-6-12-8-7(9)4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H2,9,10).
What are the key properties of 3-butoxypyridazin-4-amine?
3-butoxypyridazin-4-amine has a molecular weight of 167.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypyridazin-4-amine is sourced from PubChem (CID 86147156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).