5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile

C8H6N6 — CID 79006314

IUPAC5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cnccn2)c1N
InChIInChI=1S/C8H6N6/c9-3-6-4-13-14(8(6)10)7-5-11-1-2-12-7/h1-2,4-5H,10H2
InChIKeyIENLTEMBSGFESQ-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.12
Rot. Bonds1

About 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile

5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile (PubChem CID 79006314) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile
PubChem CID79006314
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cnccn2)c1N
InChIInChI=1S/C8H6N6/c9-3-6-4-13-14(8(6)10)7-5-11-1-2-12-7/h1-2,4-5H,10H2
InChIKeyIENLTEMBSGFESQ-UHFFFAOYSA-N
XLogP0.12
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile (CID 79006314) is 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile is N#Cc1cnn(-c2cnccn2)c1N.
What is the InChIKey of 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile?
The InChIKey is IENLTEMBSGFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6/c9-3-6-4-13-14(8(6)10)7-5-11-1-2-12-7/h1-2,4-5H,10H2.
What are the key properties of 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile?
5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile has a molecular weight of 186.18 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyrazin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 79006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).