2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride

C8H12ClN3O — CID 71755383

IUPAC2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C8H11N3O.ClH/c1-11-8(12)4-6-5-9-3-2-7(6)10-11;/h4,9H,2-3,5H2,1H3;1H
InChIKeyNLKSFJQABGMHEK-UHFFFAOYSA-N
MW201.66 g/mol
LogP-0.15
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride

2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride (PubChem CID 71755383) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
PubChem CID71755383
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C8H11N3O.ClH/c1-11-8(12)4-6-5-9-3-2-7(6)10-11;/h4,9H,2-3,5H2,1H3;1H
InChIKeyNLKSFJQABGMHEK-UHFFFAOYSA-N
XLogP-0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride (CID 71755383) is 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride is Cl.Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
The InChIKey is NLKSFJQABGMHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-11-8(12)4-6-5-9-3-2-7(6)10-11;/h4,9H,2-3,5H2,1H3;1H.
What are the key properties of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride?
2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one;hydrochloride is sourced from PubChem (CID 71755383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).