1-pyrazin-2-ylcyclohexane-1-carbonitrile

C11H13N3 — CID 130544094

IUPAC1-pyrazin-2-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2cnccn2)CCCCC1
InChIInChI=1S/C11H13N3/c12-9-11(4-2-1-3-5-11)10-8-13-6-7-14-10/h6-8H,1-5H2
InChIKeyYXCQVZZIDKERKV-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.20
Rot. Bonds1

About 1-pyrazin-2-ylcyclohexane-1-carbonitrile

1-pyrazin-2-ylcyclohexane-1-carbonitrile (PubChem CID 130544094) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-pyrazin-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-pyrazin-2-ylcyclohexane-1-carbonitrile
PubChem CID130544094
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-pyrazin-2-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2cnccn2)CCCCC1
InChIInChI=1S/C11H13N3/c12-9-11(4-2-1-3-5-11)10-8-13-6-7-14-10/h6-8H,1-5H2
InChIKeyYXCQVZZIDKERKV-UHFFFAOYSA-N
XLogP2.20
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-pyrazin-2-ylcyclohexane-1-carbonitrile (CID 130544094) is 1-pyrazin-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-pyrazin-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-pyrazin-2-ylcyclohexane-1-carbonitrile is N#CC1(c2cnccn2)CCCCC1.
What is the InChIKey of 1-pyrazin-2-ylcyclohexane-1-carbonitrile?
The InChIKey is YXCQVZZIDKERKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-11(4-2-1-3-5-11)10-8-13-6-7-14-10/h6-8H,1-5H2.
What are the key properties of 1-pyrazin-2-ylcyclohexane-1-carbonitrile?
1-pyrazin-2-ylcyclohexane-1-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 130544094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).