5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine

C8H10ClN3 — CID 118645575

IUPAC5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine
SMILESCC(C)=Cc1nc(Cl)cnc1N
InChIInChI=1S/C8H10ClN3/c1-5(2)3-6-8(10)11-4-7(9)12-6/h3-4H,1-2H3,(H2,10,11)
InChIKeyINKVAMZNGSRUNK-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine

5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine (PubChem CID 118645575) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine
PubChem CID118645575
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine
SMILESCC(C)=Cc1nc(Cl)cnc1N
InChIInChI=1S/C8H10ClN3/c1-5(2)3-6-8(10)11-4-7(9)12-6/h3-4H,1-2H3,(H2,10,11)
InChIKeyINKVAMZNGSRUNK-UHFFFAOYSA-N
XLogP2.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine?
The IUPAC name of 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine (CID 118645575) is 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine is CC(C)=Cc1nc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine?
The InChIKey is INKVAMZNGSRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5(2)3-6-8(10)11-4-7(9)12-6/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine?
5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylprop-1-enyl)pyrazin-2-amine is sourced from PubChem (CID 118645575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).