3-iodo-6-methyl-1,2-dihydropyrazine

C5H7IN2 — CID 170444074

IUPAC3-iodo-6-methyl-1,2-dihydropyrazine
SMILESCC1=CN=C(I)CN1
InChIInChI=1S/C5H7IN2/c1-4-2-8-5(6)3-7-4/h2,7H,3H2,1H3
InChIKeyYMQUAGPNTJIWJT-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.28
Rot. Bonds

About 3-iodo-6-methyl-1,2-dihydropyrazine

3-iodo-6-methyl-1,2-dihydropyrazine (PubChem CID 170444074) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 3-iodo-6-methyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name3-iodo-6-methyl-1,2-dihydropyrazine
PubChem CID170444074
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC Name3-iodo-6-methyl-1,2-dihydropyrazine
SMILESCC1=CN=C(I)CN1
InChIInChI=1S/C5H7IN2/c1-4-2-8-5(6)3-7-4/h2,7H,3H2,1H3
InChIKeyYMQUAGPNTJIWJT-UHFFFAOYSA-N
XLogP1.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-1,2-dihydropyrazine?
The IUPAC name of 3-iodo-6-methyl-1,2-dihydropyrazine (CID 170444074) is 3-iodo-6-methyl-1,2-dihydropyrazine.
What is the SMILES notation for 3-iodo-6-methyl-1,2-dihydropyrazine?
The canonical SMILES for 3-iodo-6-methyl-1,2-dihydropyrazine is CC1=CN=C(I)CN1.
What is the InChIKey of 3-iodo-6-methyl-1,2-dihydropyrazine?
The InChIKey is YMQUAGPNTJIWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2/c1-4-2-8-5(6)3-7-4/h2,7H,3H2,1H3.
What are the key properties of 3-iodo-6-methyl-1,2-dihydropyrazine?
3-iodo-6-methyl-1,2-dihydropyrazine has a molecular weight of 222.03 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-1,2-dihydropyrazine is sourced from PubChem (CID 170444074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).