3-chloro-6-(2-methylpiperazin-1-yl)pyridazine

C9H13ClN4 — CID 62673005

IUPAC3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
SMILESCC1CNCCN1c1ccc(Cl)nn1
InChIInChI=1S/C9H13ClN4/c1-7-6-11-4-5-14(7)9-3-2-8(10)12-13-9/h2-3,7,11H,4-6H2,1H3
InChIKeyWQFIYKMYHMQVFA-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.93
Rot. Bonds1

About 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine

3-chloro-6-(2-methylpiperazin-1-yl)pyridazine (PubChem CID 62673005) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
PubChem CID62673005
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
SMILESCC1CNCCN1c1ccc(Cl)nn1
InChIInChI=1S/C9H13ClN4/c1-7-6-11-4-5-14(7)9-3-2-8(10)12-13-9/h2-3,7,11H,4-6H2,1H3
InChIKeyWQFIYKMYHMQVFA-UHFFFAOYSA-N
XLogP0.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
CID 97163339
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
1-chloro-4-[(2S)-2-methylpiperazin-1-yl]phthalazine
CID 174635973
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine (CID 62673005) is 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine is CC1CNCCN1c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine?
The InChIKey is WQFIYKMYHMQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-7-6-11-4-5-14(7)9-3-2-8(10)12-13-9/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine?
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine has a molecular weight of 212.68 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 62673005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).