4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane

Name: 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₅N₃O₂ — CID 155579582

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane

SMILESCCC.[H]/N=C/C1=C(N)CC(=O)NC1=O

InChIInChI=1S/C6H7N3O2.C3H8/c7-2-3-4(8)1-5(10)9-6(3)11;1-3-2/h2,7H,1,8H2,(H,9,10,11);3H2,1-2H3/b7-2+;

InChIKeyWKYIYOBTNWHNNQ-NIBQXPITSA-N

MW197.24 g/mol

LogP0.31

Rot. Bonds1

About 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane

4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane (PubChem CID 155579582) has the molecular formula C₉H₁₅N₃O₂ and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane.

Molecular Properties

Compound Name	4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane
PubChem CID	155579582
Molecular Formula	C₉H₁₅N₃O₂
Molecular Weight	197.24 g/mol
Exact Mass	197.12
IUPAC Name	4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane
SMILES	CCC.[H]/N=C/C1=C(N)CC(=O)NC1=O
InChI	InChI=1S/C6H7N3O2.C3H8/c7-2-3-4(8)1-5(10)9-6(3)11;1-3-2/h2,7H,1,8H2,(H,9,10,11);3H2,1-2H3/b7-2+;
InChIKey	WKYIYOBTNWHNNQ-NIBQXPITSA-N
XLogP	0.31
TPSA	96.04 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.24
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane?

The IUPAC name of 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane (CID 155579582) is 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane.

What is the SMILES notation for 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane?

The canonical SMILES for 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane is CCC.[H]/N=C/C1=C(N)CC(=O)NC1=O.

What is the InChIKey of 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane?

The InChIKey is WKYIYOBTNWHNNQ-NIBQXPITSA-N. The full InChI is InChI=1S/C6H7N3O2.C3H8/c7-2-3-4(8)1-5(10)9-6(3)11;1-3-2/h2,7H,1,8H2,(H,9,10,11);3H2,1-2H3/b7-2+;.

What are the key properties of 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane?

4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane has a molecular weight of 197.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane is sourced from PubChem (CID 155579582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155579582 — identifiers, structure, computed properties (public domain)

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