5-chloro-3-(1-methylpiperidin-3-yl)pyridazine

C10H14ClN3 — CID 117105599

IUPAC5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
SMILESCN1CCCC(c2cc(Cl)cnn2)C1
InChIInChI=1S/C10H14ClN3/c1-14-4-2-3-8(7-14)10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyWEWLRTPKPOXBGV-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.94
Rot. Bonds1

About 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine

5-chloro-3-(1-methylpiperidin-3-yl)pyridazine (PubChem CID 117105599) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine.

Molecular Properties

Compound Name5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
PubChem CID117105599
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
SMILESCN1CCCC(c2cc(Cl)cnn2)C1
InChIInChI=1S/C10H14ClN3/c1-14-4-2-3-8(7-14)10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyWEWLRTPKPOXBGV-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
CID 117105735
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 116823987
4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105117
5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
CID 117105324
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
N,N-dimethyl-6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-amine
CID 95841163
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine?
The IUPAC name of 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine (CID 117105599) is 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine.
What is the SMILES notation for 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine?
The canonical SMILES for 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine is CN1CCCC(c2cc(Cl)cnn2)C1.
What is the InChIKey of 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine?
The InChIKey is WEWLRTPKPOXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-4-2-3-8(7-14)10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine?
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine has a molecular weight of 211.70 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylpiperidin-3-yl)pyridazine is sourced from PubChem (CID 117105599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).