[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine

C13H21N3O — CID 80507776

IUPAC[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine
SMILESCCC1CCCC(Oc2nnccc2CN)C1
InChIInChI=1S/C13H21N3O/c1-2-10-4-3-5-12(8-10)17-13-11(9-14)6-7-15-16-13/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyWPPQRDPNDGCPNH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds4

About [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine

[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine (PubChem CID 80507776) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine
PubChem CID80507776
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine
SMILESCCC1CCCC(Oc2nnccc2CN)C1
InChIInChI=1S/C13H21N3O/c1-2-10-4-3-5-12(8-10)17-13-11(9-14)6-7-15-16-13/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyWPPQRDPNDGCPNH-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine?
The IUPAC name of [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine (CID 80507776) is [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine?
The canonical SMILES for [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine is CCC1CCCC(Oc2nnccc2CN)C1.
What is the InChIKey of [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine?
The InChIKey is WPPQRDPNDGCPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-10-4-3-5-12(8-10)17-13-11(9-14)6-7-15-16-13/h6-7,10,12H,2-5,8-9,14H2,1H3.
What are the key properties of [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine?
[3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylcyclohexyl)oxypyridazin-4-yl]methanamine is sourced from PubChem (CID 80507776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).