5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile

C15H17N5 — CID 107368193

IUPAC5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CCCN)Cc2ccccc2)cn1
InChIInChI=1S/C15H17N5/c16-7-4-8-20(12-13-5-2-1-3-6-13)15-11-18-14(9-17)10-19-15/h1-3,5-6,10-11H,4,7-8,12,16H2
InChIKeyPWGAVRUMNNVAPH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.70
Rot. Bonds6

About 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile

5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile (PubChem CID 107368193) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
PubChem CID107368193
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CCCN)Cc2ccccc2)cn1
InChIInChI=1S/C15H17N5/c16-7-4-8-20(12-13-5-2-1-3-6-13)15-11-18-14(9-17)10-19-15/h1-3,5-6,10-11H,4,7-8,12,16H2
InChIKeyPWGAVRUMNNVAPH-UHFFFAOYSA-N
XLogP1.70
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile
CID 114900596
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
CID 107552766
4-[3-aminopropyl(benzyl)amino]naphthalene-1-carbonitrile
CID 114088701
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
2-[3-aminopropyl(benzyl)amino]-5-fluorobenzonitrile
CID 107368100
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511766
N'-benzyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 107368386
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789

Frequently Asked Questions

What is the IUPAC name of 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile (CID 107368193) is 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(N(CCCN)Cc2ccccc2)cn1.
What is the InChIKey of 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile?
The InChIKey is PWGAVRUMNNVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-7-4-8-20(12-13-5-2-1-3-6-13)15-11-18-14(9-17)10-19-15/h1-3,5-6,10-11H,4,7-8,12,16H2.
What are the key properties of 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile?
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107368193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).