KOUCPATWZNJNLZ-UHFFFAOYSA-N

C₆H₆N₄O — CID 15618961

About KOUCPATWZNJNLZ-UHFFFAOYSA-N

KOUCPATWZNJNLZ-UHFFFAOYSA-N (PubChem CID 15618961) has the molecular formula C₆H₆N₄O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: KOUCPATWZNJNLZ-UHFFFAOYSA-N
• PubChem CID: 15618961
• Molecular Formula: C₆H₆N₄O
• Molecular Weight: 150.14 g/mol
• Exact Mass: 150.05
• IUPAC Name: 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile
• SMILES: [H]/N=c1\c(C#N)nc(C)cn1O
• InChI: InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3/b8-6+
• InChIKey: LOUMHCRSPDRZLU-SOFGYWHQSA-N
• XLogP: -0.22
• TPSA: 85.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.14
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of KOUCPATWZNJNLZ-UHFFFAOYSA-N?

The IUPAC name of KOUCPATWZNJNLZ-UHFFFAOYSA-N (CID 15618961) is 4-hydroxy-3-imino-6-methylpyrazine-2-carbonitrile.

What is the SMILES notation for KOUCPATWZNJNLZ-UHFFFAOYSA-N?

The canonical SMILES for KOUCPATWZNJNLZ-UHFFFAOYSA-N is [H]/N=c1\c(C#N)nc(C)cn1O.

What is the InChIKey of KOUCPATWZNJNLZ-UHFFFAOYSA-N?

The InChIKey is LOUMHCRSPDRZLU-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-3-10(11)6(8)5(2-7)9-4/h3,8,11H,1H3/b8-6+.

What are the key properties of KOUCPATWZNJNLZ-UHFFFAOYSA-N?

KOUCPATWZNJNLZ-UHFFFAOYSA-N has a molecular weight of 150.14 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for KOUCPATWZNJNLZ-UHFFFAOYSA-N is sourced from PubChem (CID 15618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15618961 — identifiers, structure, computed properties (public domain)

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