4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile

C15H17N5 — CID 64897492

IUPAC4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
SMILESCC1CN(c2c(C#N)nnc3ccccc23)CC(C)N1
InChIInChI=1S/C15H17N5/c1-10-8-20(9-11(2)17-10)15-12-5-3-4-6-13(12)18-19-14(15)7-16/h3-6,10-11,17H,8-9H2,1-2H3
InChIKeyURDZIXQBVOCADC-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.69
Rot. Bonds1

About 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile

4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile (PubChem CID 64897492) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
PubChem CID64897492
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
SMILESCC1CN(c2c(C#N)nnc3ccccc23)CC(C)N1
InChIInChI=1S/C15H17N5/c1-10-8-20(9-11(2)17-10)15-12-5-3-4-6-13(12)18-19-14(15)7-16/h3-6,10-11,17H,8-9H2,1-2H3
InChIKeyURDZIXQBVOCADC-UHFFFAOYSA-N
XLogP1.69
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile (CID 64897492) is 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile is CC1CN(c2c(C#N)nnc3ccccc23)CC(C)N1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The InChIKey is URDZIXQBVOCADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-8-20(9-11(2)17-10)15-12-5-3-4-6-13(12)18-19-14(15)7-16/h3-6,10-11,17H,8-9H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile is sourced from PubChem (CID 64897492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).