7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H15N5O4 — CID 78996446

IUPAC7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1N=C(C(=O)N2CCC3(C2)NC(=O)NC3=O)CCC1=O
InChIInChI=1S/C12H15N5O4/c1-16-8(18)3-2-7(15-16)9(19)17-5-4-12(6-17)10(20)13-11(21)14-12/h2-6H2,1H3,(H2,13,14,20,21)
InChIKeyVTTHWJMODRHRNS-UHFFFAOYSA-N
MW293.28 g/mol
LogP-1.59
Rot. Bonds1

About 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996446) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996446
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1N=C(C(=O)N2CCC3(C2)NC(=O)NC3=O)CCC1=O
InChIInChI=1S/C12H15N5O4/c1-16-8(18)3-2-7(15-16)9(19)17-5-4-12(6-17)10(20)13-11(21)14-12/h2-6H2,1H3,(H2,13,14,20,21)
InChIKeyVTTHWJMODRHRNS-UHFFFAOYSA-N
XLogP-1.59
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione 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

CID 60712418
CID 60712418
CID 78996258
CID 78996258
CID 81639305
CID 81639305
CID 110742225
CID 110742225

Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996446) is 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CN1N=C(C(=O)N2CCC3(C2)NC(=O)NC3=O)CCC1=O.
What is the InChIKey of 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VTTHWJMODRHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-16-8(18)3-2-7(15-16)9(19)17-5-4-12(6-17)10(20)13-11(21)14-12/h2-6H2,1H3,(H2,13,14,20,21).
What are the key properties of 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 293.28 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).