[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine

C12H20N4O — CID 80507893

IUPAC[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
SMILESCN1CCCCC1COc1nnccc1CN
InChIInChI=1S/C12H20N4O/c1-16-7-3-2-4-11(16)9-17-12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyYBSMCIJMHYTUEC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds4

About [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine

[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine (PubChem CID 80507893) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
PubChem CID80507893
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
SMILESCN1CCCCC1COc1nnccc1CN
InChIInChI=1S/C12H20N4O/c1-16-7-3-2-4-11(16)9-17-12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyYBSMCIJMHYTUEC-UHFFFAOYSA-N
XLogP0.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine (CID 80507893) is [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine is CN1CCCCC1COc1nnccc1CN.
What is the InChIKey of [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine?
The InChIKey is YBSMCIJMHYTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-7-3-2-4-11(16)9-17-12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine?
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).