5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile

C15H17N7 — CID 31535401

IUPAC5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(c3ncccn3)CC2)c(C#N)c1C
InChIInChI=1S/C15H17N7/c1-11-12(2)19-20-14(13(11)10-16)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5H,6-9H2,1-2H3
InChIKeyHEPNDUCGKMJBGZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.08
Rot. Bonds2

About 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile

5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile (PubChem CID 31535401) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
PubChem CID31535401
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(c3ncccn3)CC2)c(C#N)c1C
InChIInChI=1S/C15H17N7/c1-11-12(2)19-20-14(13(11)10-16)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5H,6-9H2,1-2H3
InChIKeyHEPNDUCGKMJBGZ-UHFFFAOYSA-N
XLogP1.08
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279898
5,6-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile
CID 56819525
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 51106961
3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279897
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279903
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 107269419
5,6-dimethyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 47072340
3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279735
3-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279741

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile (CID 31535401) is 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile is Cc1nnc(N2CCN(c3ncccn3)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is HEPNDUCGKMJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-11-12(2)19-20-14(13(11)10-16)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5H,6-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.08, 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-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 31535401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).