4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile

C14H15N5 — CID 104976097

IUPAC4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
SMILESC[C@@H]1CN(c2c(C#N)nnc3ccccc23)CCN1
InChIInChI=1S/C14H15N5/c1-10-9-19(7-6-16-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyAWFQXTKGBRDNQD-SNVBAGLBSA-N
MW253.31 g/mol
LogP1.30
Rot. Bonds1

About 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile

4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile (PubChem CID 104976097) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
PubChem CID104976097
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
SMILESC[C@@H]1CN(c2c(C#N)nnc3ccccc23)CCN1
InChIInChI=1S/C14H15N5/c1-10-9-19(7-6-16-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyAWFQXTKGBRDNQD-SNVBAGLBSA-N
XLogP1.30
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile (CID 104976097) is 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile is C[C@@H]1CN(c2c(C#N)nnc3ccccc23)CCN1.
What is the InChIKey of 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile?
The InChIKey is AWFQXTKGBRDNQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-9-19(7-6-16-10)14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,16H,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile?
4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile is sourced from PubChem (CID 104976097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).