1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine

C12H20N4 — CID 106895129

IUPAC1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCN1CCCCC1CNCc1cccnn1
InChIInChI=1S/C12H20N4/c1-16-8-3-2-6-12(16)10-13-9-11-5-4-7-14-15-11/h4-5,7,12-13H,2-3,6,8-10H2,1H3
InChIKeyGJKRKZZIUWEQRM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds4

About 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine

1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine (PubChem CID 106895129) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
PubChem CID106895129
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESCN1CCCCC1CNCc1cccnn1
InChIInChI=1S/C12H20N4/c1-16-8-3-2-6-12(16)10-13-9-11-5-4-7-14-15-11/h4-5,7,12-13H,2-3,6,8-10H2,1H3
InChIKeyGJKRKZZIUWEQRM-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 106025646
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 103172390
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
1-piperidin-3-yl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895080
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748
N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106862534
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine (CID 106895129) is 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine is CN1CCCCC1CNCc1cccnn1.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The InChIKey is GJKRKZZIUWEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-8-3-2-6-12(16)10-13-9-11-5-4-7-14-15-11/h4-5,7,12-13H,2-3,6,8-10H2,1H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine?
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine is sourced from PubChem (CID 106895129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).