5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile

C11H11N5 — CID 62487429

IUPAC5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile
SMILESCc1ccn(-c2nnc(C)c(C)c2C#N)n1
InChIInChI=1S/C11H11N5/c1-7-4-5-16(15-7)11-10(6-12)8(2)9(3)13-14-11/h4-5H,1-3H3
InChIKeyVRVKOUZICPDAGO-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.46
Rot. Bonds1

About 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile

5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile (PubChem CID 62487429) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile
PubChem CID62487429
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile
SMILESCc1ccn(-c2nnc(C)c(C)c2C#N)n1
InChIInChI=1S/C11H11N5/c1-7-4-5-16(15-7)11-10(6-12)8(2)9(3)13-14-11/h4-5H,1-3H3
InChIKeyVRVKOUZICPDAGO-UHFFFAOYSA-N
XLogP1.46
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
3-(1-Pyridin-2-yl-1H-pyrazol-3-yl)-benzonitrile
CID 10236192
3-(1-Pyridin-2-yl-1H-pyrazol-4-yl)-benzonitrile
CID 10308060
3-Methyl-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646677
1-methyl-5-[4-(2-pyridinyl)piperazino]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 3833549
3-(6-Pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 122185327
3-Methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile
CID 122185332
2-[(5-Piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
CID 122193943
5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
CID 9587713
Formamidine, N'-(4-cyano-3-cyanomethyl-1-phenylpyrazol-5-yl)-N,N-dimethyl-
CID 9568622
2-(Pyrazol-1-yl)-3-cyanopyridine
CID 28367834
4-Ethyl-3-propyl-1-(2-(pyridin-2-yl)ethyl)-1H-pyrazol-5-amine
CID 658281

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile (CID 62487429) is 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile is Cc1ccn(-c2nnc(C)c(C)c2C#N)n1.
What is the InChIKey of 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile?
The InChIKey is VRVKOUZICPDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-7-4-5-16(15-7)11-10(6-12)8(2)9(3)13-14-11/h4-5H,1-3H3.
What are the key properties of 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 62487429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).