3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine

C10H15ClN4 — CID 97163264

IUPAC3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
SMILESC[C@H]1CN(Cc2ccc(Cl)nn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-10(11)14-13-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1
InChIKeyLQTUTSWTRUXXJJ-QMMMGPOBSA-N
MW226.71 g/mol
LogP0.92
Rot. Bonds2

About 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine

3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine (PubChem CID 97163264) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
PubChem CID97163264
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
SMILESC[C@H]1CN(Cc2ccc(Cl)nn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-10(11)14-13-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1
InChIKeyLQTUTSWTRUXXJJ-QMMMGPOBSA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
CID 71639868
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
CID 71643836
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
CID 130546911
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine?
The IUPAC name of 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine (CID 97163264) is 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine is C[C@H]1CN(Cc2ccc(Cl)nn2)CCN1.
What is the InChIKey of 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine?
The InChIKey is LQTUTSWTRUXXJJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-8-6-15(5-4-12-8)7-9-2-3-10(11)14-13-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1.
What are the key properties of 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine?
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine has a molecular weight of 226.71 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine is sourced from PubChem (CID 97163264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).