6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine

C12H16ClN3 — CID 103606961

IUPAC6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
SMILESClc1cncc(NCCC2=CCCCC2)n1
InChIInChI=1S/C12H16ClN3/c13-11-8-14-9-12(16-11)15-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,15,16)
InChIKeyUTQSMBHROUKDSG-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.43
Rot. Bonds4

About 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine

6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine (PubChem CID 103606961) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
PubChem CID103606961
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
SMILESClc1cncc(NCCC2=CCCCC2)n1
InChIInChI=1S/C12H16ClN3/c13-11-8-14-9-12(16-11)15-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,15,16)
InChIKeyUTQSMBHROUKDSG-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine (CID 103606961) is 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine is Clc1cncc(NCCC2=CCCCC2)n1.
What is the InChIKey of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine?
The InChIKey is UTQSMBHROUKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-11-8-14-9-12(16-11)15-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,15,16).
What are the key properties of 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine has a molecular weight of 237.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 103606961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).