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

C9H15N3O2 — CID 155579582

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 Name4-amino-5-methanimidoyl-3H-pyridine-2,6-dione;propane
PubChem CID155579582
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-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
XLogP0.31
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one
CID 90089168
4-imino-2-methoxy-1H-pyrimidin-6-one
CID 137345950
3-heptylidenepyrrolidine-2,5-dione
CID 141176728
ethane;2-methanimidoylcyclohexen-1-amine
CID 142160083
4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
CID 144576255
2,3-dichloro-4-hydroxy-5-methanimidoylcyclopenta-2,4-dien-1-one
CID 137181042
4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen
CID 177218070
2-methanimidoyl-3,3,4,4-tetramethylcyclobuten-1-amine
CID 89326808
5-amino-6-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 69465743
4-ethyl-6-methylidene-3H-pyridin-2-one
CID 134558144
8-amino-6-fluoro-4H-isoquinoline-1,3-dione
CID 164939912
sodium;1,3-diazinane-2,4,6-trione;hydride;methanamine
CID 174594549

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).