7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C10H11N5O3 — CID 78996239

IUPAC7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cn[nH]c3)C2)N1
InChIInChI=1S/C10H11N5O3/c16-7(6-3-11-12-4-6)15-2-1-10(5-15)8(17)13-9(18)14-10/h3-4H,1-2,5H2,(H,11,12)(H2,13,14,17,18)
InChIKeyUKBGDIPSWPSLBW-UHFFFAOYSA-N
MW249.23 g/mol
LogP-1.17
Rot. Bonds1

About 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996239) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996239
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cn[nH]c3)C2)N1
InChIInChI=1S/C10H11N5O3/c16-7(6-3-11-12-4-6)15-2-1-10(5-15)8(17)13-9(18)14-10/h3-4H,1-2,5H2,(H,11,12)(H2,13,14,17,18)
InChIKeyUKBGDIPSWPSLBW-UHFFFAOYSA-N
XLogP-1.17
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(1H-pyrazole-4-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

7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996341
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
7-(4-bromo-3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 80998098
7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996258
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996239) is 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cn[nH]c3)C2)N1.
What is the InChIKey of 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UKBGDIPSWPSLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-7(6-3-11-12-4-6)15-2-1-10(5-15)8(17)13-9(18)14-10/h3-4H,1-2,5H2,(H,11,12)(H2,13,14,17,18).
What are the key properties of 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).