8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

C14H20N4O2 — CID 72924859

IUPAC8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nncn1CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-11-16-15-10-17(11)6-7-18-12(19)8-14(9-13(18)20)4-2-3-5-14/h10H,2-9H2,1H3
InChIKeyCJGUJROIFXDRCZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.30
Rot. Bonds3

About 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 72924859) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID72924859
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nncn1CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-11-16-15-10-17(11)6-7-18-12(19)8-14(9-13(18)20)4-2-3-5-14/h10H,2-9H2,1H3
InChIKeyCJGUJROIFXDRCZ-UHFFFAOYSA-N
XLogP1.30
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-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

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
2-ethyl-9-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773141
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
8-[2-(4H-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72864747
7-isopropyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72924315
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
N-methyl-N-(1-methylpiperidin-4-yl)-3-{1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl}propanamide
CID 72877924
2-Cyclopentyl-1-[2-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052136
3-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}propan-1-one
CID 87052156
2-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}ethan-1-one
CID 87052175

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 72924859) is 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is Cc1nncn1CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is CJGUJROIFXDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-16-15-10-17(11)6-7-18-12(19)8-14(9-13(18)20)4-2-3-5-14/h10H,2-9H2,1H3.
What are the key properties of 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 276.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 72924859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).