3-methylpyrazine-2,6-diamine

C5H8N4 — CID 23049432

IUPAC3-methylpyrazine-2,6-diamine
SMILESCc1ncc(N)nc1N
InChIInChI=1S/C5H8N4/c1-3-5(7)9-4(6)2-8-3/h2H,1H3,(H4,6,7,9)
InChIKeyKAYKPASIZYIDLX-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.05
Rot. Bonds

About 3-methylpyrazine-2,6-diamine

3-methylpyrazine-2,6-diamine (PubChem CID 23049432) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 3-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name3-methylpyrazine-2,6-diamine
PubChem CID23049432
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name3-methylpyrazine-2,6-diamine
SMILESCc1ncc(N)nc1N
InChIInChI=1S/C5H8N4/c1-3-5(7)9-4(6)2-8-3/h2H,1H3,(H4,6,7,9)
InChIKeyKAYKPASIZYIDLX-UHFFFAOYSA-N
XLogP-0.05
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazine-2,6-diamine?
The IUPAC name of 3-methylpyrazine-2,6-diamine (CID 23049432) is 3-methylpyrazine-2,6-diamine.
What is the SMILES notation for 3-methylpyrazine-2,6-diamine?
The canonical SMILES for 3-methylpyrazine-2,6-diamine is Cc1ncc(N)nc1N.
What is the InChIKey of 3-methylpyrazine-2,6-diamine?
The InChIKey is KAYKPASIZYIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-5(7)9-4(6)2-8-3/h2H,1H3,(H4,6,7,9).
What are the key properties of 3-methylpyrazine-2,6-diamine?
3-methylpyrazine-2,6-diamine has a molecular weight of 124.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazine-2,6-diamine is sourced from PubChem (CID 23049432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).