6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine

C7H8ClN3 — CID 130346666

IUPAC6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine
SMILESC/C=C/c1ncc(Cl)nc1N
InChIInChI=1S/C7H8ClN3/c1-2-3-5-7(9)11-6(8)4-10-5/h2-4H,1H3,(H2,9,11)/b3-2+
InChIKeyCQWYZEPXQZFHJO-NSCUHMNNSA-N
MW169.62 g/mol
LogP1.75
Rot. Bonds1

About 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine

6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine (PubChem CID 130346666) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine
PubChem CID130346666
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine
SMILESC/C=C/c1ncc(Cl)nc1N
InChIInChI=1S/C7H8ClN3/c1-2-3-5-7(9)11-6(8)4-10-5/h2-4H,1H3,(H2,9,11)/b3-2+
InChIKeyCQWYZEPXQZFHJO-NSCUHMNNSA-N
XLogP1.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine (CID 130346666) is 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine is C/C=C/c1ncc(Cl)nc1N.
What is the InChIKey of 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine?
The InChIKey is CQWYZEPXQZFHJO-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-2-3-5-7(9)11-6(8)4-10-5/h2-4H,1H3,(H2,9,11)/b3-2+.
What are the key properties of 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine?
6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine has a molecular weight of 169.62 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-prop-1-enyl]pyrazin-2-amine is sourced from PubChem (CID 130346666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).