3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride

C10H14ClN5 — CID 71755917

IUPAC3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride
SMILESCC1CN(c2nccnc2C#N)CCN1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10;/h2-3,8,12H,4-5,7H2,1H3;1H
InChIKeyGAOUFCAISWXUIM-UHFFFAOYSA-N
MW239.71 g/mol
LogP0.57
Rot. Bonds1

About 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride

3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride (PubChem CID 71755917) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride
PubChem CID71755917
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride
SMILESCC1CN(c2nccnc2C#N)CCN1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10;/h2-3,8,12H,4-5,7H2,1H3;1H
InChIKeyGAOUFCAISWXUIM-UHFFFAOYSA-N
XLogP0.57
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride?
The IUPAC name of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride (CID 71755917) is 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride?
The canonical SMILES for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride is CC1CN(c2nccnc2C#N)CCN1.Cl.
What is the InChIKey of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride?
The InChIKey is GAOUFCAISWXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.ClH/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10;/h2-3,8,12H,4-5,7H2,1H3;1H.
What are the key properties of 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride?
3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 71755917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).