3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine

C8H6Cl2N4 — CID 59443336

IUPAC3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine
SMILESCn1cc(-c2ncc(Cl)nc2Cl)cn1
InChIInChI=1S/C8H6Cl2N4/c1-14-4-5(2-12-14)7-8(10)13-6(9)3-11-7/h2-4H,1H3
InChIKeyQRRJJHMSQCGEGU-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.18
Rot. Bonds1

About 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine

3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine (PubChem CID 59443336) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine
PubChem CID59443336
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine
SMILESCn1cc(-c2ncc(Cl)nc2Cl)cn1
InChIInChI=1S/C8H6Cl2N4/c1-14-4-5(2-12-14)7-8(10)13-6(9)3-11-7/h2-4H,1H3
InChIKeyQRRJJHMSQCGEGU-UHFFFAOYSA-N
XLogP2.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine?
The IUPAC name of 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine (CID 59443336) is 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine?
The canonical SMILES for 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine is Cn1cc(-c2ncc(Cl)nc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine?
The InChIKey is QRRJJHMSQCGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c1-14-4-5(2-12-14)7-8(10)13-6(9)3-11-7/h2-4H,1H3.
What are the key properties of 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine?
3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine has a molecular weight of 229.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(1-methylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 59443336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).