4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile

C15H17N5 — CID 65461607

IUPAC4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
SMILESCC1(C)CNCCN1c1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H17N5/c1-15(2)10-17-7-8-20(15)14-11-5-3-4-6-12(11)18-19-13(14)9-16/h3-6,17H,7-8,10H2,1-2H3
InChIKeyDLXVEMLSNGAZMH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.69
Rot. Bonds1

About 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile

4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile (PubChem CID 65461607) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
PubChem CID65461607
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
SMILESCC1(C)CNCCN1c1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H17N5/c1-15(2)10-17-7-8-20(15)14-11-5-3-4-6-12(11)18-19-13(14)9-16/h3-6,17H,7-8,10H2,1-2H3
InChIKeyDLXVEMLSNGAZMH-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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Related Compounds

4-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 63595602
4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
CID 104976097
4-(4-methoxy-4-methylpiperidin-1-yl)cinnoline-3-carbonitrile
CID 146086790
4-(3,5-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
CID 64897492
4-[3-(methylamino)pyrrolidin-1-yl]cinnoline-3-carbonitrile
CID 115300825
2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 65463226
2-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 114789478
6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
CID 67324559
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494
2-chloro-6-(2,2-dimethylpiperazin-1-yl)benzonitrile
CID 65462011
4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carbonitrile
CID 64898548
4-(morpholin-4-ylamino)cinnoline-3-carbonitrile
CID 83025777

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile (CID 65461607) is 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile is CC1(C)CNCCN1c1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
The InChIKey is DLXVEMLSNGAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-15(2)10-17-7-8-20(15)14-11-5-3-4-6-12(11)18-19-13(14)9-16/h3-6,17H,7-8,10H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile?
4-(2,2-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-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile is sourced from PubChem (CID 65461607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).