3-[(1-methylpiperidin-3-yl)methyl]pyridazine

C11H17N3 — CID 117106273

IUPAC3-[(1-methylpiperidin-3-yl)methyl]pyridazine
SMILESCN1CCCC(Cc2cccnn2)C1
InChIInChI=1S/C11H17N3/c1-14-7-3-4-10(9-14)8-11-5-2-6-12-13-11/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyXKDPGEACPNMHPF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.36
Rot. Bonds2

About 3-[(1-methylpiperidin-3-yl)methyl]pyridazine

3-[(1-methylpiperidin-3-yl)methyl]pyridazine (PubChem CID 117106273) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methyl]pyridazine
PubChem CID117106273
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-[(1-methylpiperidin-3-yl)methyl]pyridazine
SMILESCN1CCCC(Cc2cccnn2)C1
InChIInChI=1S/C11H17N3/c1-14-7-3-4-10(9-14)8-11-5-2-6-12-13-11/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyXKDPGEACPNMHPF-UHFFFAOYSA-N
XLogP1.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
CID 117106303
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
(4R)-1-methyl-4-[(6-pyridin-3-ylpyridazin-3-yl)methyl]azepane
CID 95825329
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]pyridazine?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]pyridazine (CID 117106273) is 3-[(1-methylpiperidin-3-yl)methyl]pyridazine.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methyl]pyridazine?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methyl]pyridazine is CN1CCCC(Cc2cccnn2)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methyl]pyridazine?
The InChIKey is XKDPGEACPNMHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-7-3-4-10(9-14)8-11-5-2-6-12-13-11/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-3-yl)methyl]pyridazine?
3-[(1-methylpiperidin-3-yl)methyl]pyridazine has a molecular weight of 191.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methyl]pyridazine is sourced from PubChem (CID 117106273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).