3-(diazinan-1-yl)pyrazine-2-carbonitrile

C9H11N5 — CID 131042835

IUPAC3-(diazinan-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCCN1
InChIInChI=1S/C9H11N5/c10-7-8-9(12-5-4-11-8)14-6-2-1-3-13-14/h4-5,13H,1-3,6H2
InChIKeyGJFDOMYIFHKTPE-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.45
Rot. Bonds1

About 3-(diazinan-1-yl)pyrazine-2-carbonitrile

3-(diazinan-1-yl)pyrazine-2-carbonitrile (PubChem CID 131042835) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(diazinan-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(diazinan-1-yl)pyrazine-2-carbonitrile
PubChem CID131042835
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-(diazinan-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCCN1
InChIInChI=1S/C9H11N5/c10-7-8-9(12-5-4-11-8)14-6-2-1-3-13-14/h4-5,13H,1-3,6H2
InChIKeyGJFDOMYIFHKTPE-UHFFFAOYSA-N
XLogP0.45
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diazinan-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(diazinan-1-yl)pyrazine-2-carbonitrile (CID 131042835) is 3-(diazinan-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(diazinan-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(diazinan-1-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCCN1.
What is the InChIKey of 3-(diazinan-1-yl)pyrazine-2-carbonitrile?
The InChIKey is GJFDOMYIFHKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-7-8-9(12-5-4-11-8)14-6-2-1-3-13-14/h4-5,13H,1-3,6H2.
What are the key properties of 3-(diazinan-1-yl)pyrazine-2-carbonitrile?
3-(diazinan-1-yl)pyrazine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diazinan-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 131042835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).