3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile

C15H22N6 — CID 122562947

IUPAC3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CCN(CC2(CNc3nccnc3C#N)CC2)CC1
InChIInChI=1S/C15H22N6/c1-20-6-8-21(9-7-20)12-15(2-3-15)11-19-14-13(10-16)17-4-5-18-14/h4-5H,2-3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyZNHPTZIAANUIHU-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.79
Rot. Bonds5

About 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile

3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 122562947) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile
PubChem CID122562947
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CCN(CC2(CNc3nccnc3C#N)CC2)CC1
InChIInChI=1S/C15H22N6/c1-20-6-8-21(9-7-20)12-15(2-3-15)11-19-14-13(10-16)17-4-5-18-14/h4-5H,2-3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyZNHPTZIAANUIHU-UHFFFAOYSA-N
XLogP0.79
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile (CID 122562947) is 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile is CN1CCN(CC2(CNc3nccnc3C#N)CC2)CC1.
What is the InChIKey of 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is ZNHPTZIAANUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-20-6-8-21(9-7-20)12-15(2-3-15)11-19-14-13(10-16)17-4-5-18-14/h4-5H,2-3,6-9,11-12H2,1H3,(H,18,19).
What are the key properties of 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 122562947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).