3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride

C7H8ClN3O — CID 66980847

IUPAC3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
SMILESCc1n[nH]c(=O)c(C#N)c1C.Cl
InChIInChI=1S/C7H7N3O.ClH/c1-4-5(2)9-10-7(11)6(4)3-8;/h1-2H3,(H,10,11);1H
InChIKeySMVRHKSSSBFOBX-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.68
Rot. Bonds

About 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride

3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride (PubChem CID 66980847) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
PubChem CID66980847
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
SMILESCc1n[nH]c(=O)c(C#N)c1C.Cl
InChIInChI=1S/C7H7N3O.ClH/c1-4-5(2)9-10-7(11)6(4)3-8;/h1-2H3,(H,10,11);1H
InChIKeySMVRHKSSSBFOBX-UHFFFAOYSA-N
XLogP0.68
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride?
The IUPAC name of 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride (CID 66980847) is 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride?
The canonical SMILES for 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride is Cc1n[nH]c(=O)c(C#N)c1C.Cl.
What is the InChIKey of 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride?
The InChIKey is SMVRHKSSSBFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.ClH/c1-4-5(2)9-10-7(11)6(4)3-8;/h1-2H3,(H,10,11);1H.
What are the key properties of 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride?
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 66980847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).