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

C15H17N7O — CID 133336898

IUPAC5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)c(C#N)c1C
InChIInChI=1S/C15H17N7O/c1-10-11(2)18-19-15(13(10)6-16)21-4-5-22(14(23)9-21)12-7-17-20(3)8-12/h7-8H,4-5,9H2,1-3H3
InChIKeyDODGSVQDMQBOOP-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.55
Rot. Bonds2

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

5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133336898) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133336898
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)c(C#N)c1C
InChIInChI=1S/C15H17N7O/c1-10-11(2)18-19-15(13(10)6-16)21-4-5-22(14(23)9-21)12-7-17-20(3)8-12/h7-8H,4-5,9H2,1-3H3
InChIKeyDODGSVQDMQBOOP-UHFFFAOYSA-N
XLogP0.55
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336885
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile (CID 133336898) is 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is DODGSVQDMQBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10-11(2)18-19-15(13(10)6-16)21-4-5-22(14(23)9-21)12-7-17-20(3)8-12/h7-8H,4-5,9H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 311.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133336898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).