6-cyclobutyl-3-methoxypyridazin-4-amine

C9H13N3O — CID 117127031

IUPAC6-cyclobutyl-3-methoxypyridazin-4-amine
SMILESCOc1nnc(C2CCC2)cc1N
InChIInChI=1S/C9H13N3O/c1-13-9-7(10)5-8(11-12-9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyLLQGTXFNUULKLE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds2

About 6-cyclobutyl-3-methoxypyridazin-4-amine

6-cyclobutyl-3-methoxypyridazin-4-amine (PubChem CID 117127031) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-cyclobutyl-3-methoxypyridazin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-3-methoxypyridazin-4-amine
PubChem CID117127031
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-cyclobutyl-3-methoxypyridazin-4-amine
SMILESCOc1nnc(C2CCC2)cc1N
InChIInChI=1S/C9H13N3O/c1-13-9-7(10)5-8(11-12-9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyLLQGTXFNUULKLE-UHFFFAOYSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-6-piperidin-3-ylpyridazin-4-amine
CID 117105660
4-chloro-6-cyclohexyl-3-methoxypyridazine
CID 117107222
5-cyclohexyl-2-methoxypyridin-3-amine
CID 105459224
6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine
CID 163237787
5-chloro-6-cyclopentyl-2-methoxypyridin-3-amine
CID 105484225
3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
CID 117106065
3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
CID 117106344
5-methoxy-2-(oxan-4-yl)pyridin-4-amine
CID 58962706
3-methoxy-6-(2-methoxyphenyl)pyridazin-4-amine
CID 117127022
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 117106079
6-(thian-4-yl)pyridazine-3,4-diamine
CID 117105164
2-(5-amino-6-methoxypyridazin-3-yl)ethanol
CID 117104987

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-methoxypyridazin-4-amine?
The IUPAC name of 6-cyclobutyl-3-methoxypyridazin-4-amine (CID 117127031) is 6-cyclobutyl-3-methoxypyridazin-4-amine.
What is the SMILES notation for 6-cyclobutyl-3-methoxypyridazin-4-amine?
The canonical SMILES for 6-cyclobutyl-3-methoxypyridazin-4-amine is COc1nnc(C2CCC2)cc1N.
What is the InChIKey of 6-cyclobutyl-3-methoxypyridazin-4-amine?
The InChIKey is LLQGTXFNUULKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9-7(10)5-8(11-12-9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H2,10,11).
What are the key properties of 6-cyclobutyl-3-methoxypyridazin-4-amine?
6-cyclobutyl-3-methoxypyridazin-4-amine has a molecular weight of 179.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-methoxypyridazin-4-amine is sourced from PubChem (CID 117127031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).