1H-pyrazine-3,4-diamine

C4H8N4 — CID 138583648

IUPAC1H-pyrazine-3,4-diamine
SMILESNC1=CNC=CN1N
InChIInChI=1S/C4H8N4/c5-4-3-7-1-2-8(4)6/h1-3,7H,5-6H2
InChIKeyPGNZCMALJFHFHG-UHFFFAOYSA-N
MW112.14 g/mol
LogP-1.01
Rot. Bonds

About 1H-pyrazine-3,4-diamine

1H-pyrazine-3,4-diamine (PubChem CID 138583648) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1H-pyrazine-3,4-diamine.

Molecular Properties

Compound Name1H-pyrazine-3,4-diamine
PubChem CID138583648
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1H-pyrazine-3,4-diamine
SMILESNC1=CNC=CN1N
InChIInChI=1S/C4H8N4/c5-4-3-7-1-2-8(4)6/h1-3,7H,5-6H2
InChIKeyPGNZCMALJFHFHG-UHFFFAOYSA-N
XLogP-1.01
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazine-3,4-diamine?
The IUPAC name of 1H-pyrazine-3,4-diamine (CID 138583648) is 1H-pyrazine-3,4-diamine.
What is the SMILES notation for 1H-pyrazine-3,4-diamine?
The canonical SMILES for 1H-pyrazine-3,4-diamine is NC1=CNC=CN1N.
What is the InChIKey of 1H-pyrazine-3,4-diamine?
The InChIKey is PGNZCMALJFHFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-4-3-7-1-2-8(4)6/h1-3,7H,5-6H2.
What are the key properties of 1H-pyrazine-3,4-diamine?
1H-pyrazine-3,4-diamine has a molecular weight of 112.14 g/mol, XLogP of -1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazine-3,4-diamine is sourced from PubChem (CID 138583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).