3-chloro-6-methoxypyrazin-2-amine

C5H6ClN3O — CID 11701087

IUPAC3-chloro-6-methoxypyrazin-2-amine
SMILESCOc1cnc(Cl)c(N)n1
InChIInChI=1S/C5H6ClN3O/c1-10-3-2-8-4(6)5(7)9-3/h2H,1H3,(H2,7,9)
InChIKeyNXASRWBWVZXWCY-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.72
Rot. Bonds1

About 3-chloro-6-methoxypyrazin-2-amine

3-chloro-6-methoxypyrazin-2-amine (PubChem CID 11701087) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 3-chloro-6-methoxypyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-6-methoxypyrazin-2-amine
PubChem CID11701087
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name3-chloro-6-methoxypyrazin-2-amine
SMILESCOc1cnc(Cl)c(N)n1
InChIInChI=1S/C5H6ClN3O/c1-10-3-2-8-4(6)5(7)9-3/h2H,1H3,(H2,7,9)
InChIKeyNXASRWBWVZXWCY-UHFFFAOYSA-N
XLogP0.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxypyrazin-2-amine?
The IUPAC name of 3-chloro-6-methoxypyrazin-2-amine (CID 11701087) is 3-chloro-6-methoxypyrazin-2-amine.
What is the SMILES notation for 3-chloro-6-methoxypyrazin-2-amine?
The canonical SMILES for 3-chloro-6-methoxypyrazin-2-amine is COc1cnc(Cl)c(N)n1.
What is the InChIKey of 3-chloro-6-methoxypyrazin-2-amine?
The InChIKey is NXASRWBWVZXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-10-3-2-8-4(6)5(7)9-3/h2H,1H3,(H2,7,9).
What are the key properties of 3-chloro-6-methoxypyrazin-2-amine?
3-chloro-6-methoxypyrazin-2-amine has a molecular weight of 159.58 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxypyrazin-2-amine is sourced from PubChem (CID 11701087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).