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

C12H19N3O — CID 106895280

IUPAC4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCc2cccnn2)CC1
InChIInChI=1S/C12H19N3O/c1-16-12-6-4-10(5-7-12)13-9-11-3-2-8-14-15-11/h2-3,8,10,12-13H,4-7,9H2,1H3
InChIKeyQCCXDXVXBRNEMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds4

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

4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106895280) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106895280
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCc2cccnn2)CC1
InChIInChI=1S/C12H19N3O/c1-16-12-6-4-10(5-7-12)13-9-11-3-2-8-14-15-11/h2-3,8,10,12-13H,4-7,9H2,1H3
InChIKeyQCCXDXVXBRNEMI-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (CID 106895280) is 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is COC1CCC(NCc2cccnn2)CC1.
What is the InChIKey of 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QCCXDXVXBRNEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-6-4-10(5-7-12)13-9-11-3-2-8-14-15-11/h2-3,8,10,12-13H,4-7,9H2,1H3.
What are the key properties of 4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
4-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.52, 4 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)cyclohexan-1-amine is sourced from PubChem (CID 106895280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).