4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H24N6O2 — CID 72899051

IUPAC4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1ccc3n[nH]nc3c1)CCN2C
InChIInChI=1S/C18H24N6O2/c1-22-8-7-18(6-5-16(22)25)12-24(10-9-23(18)2)17(26)13-3-4-14-15(11-13)20-21-19-14/h3-4,11H,5-10,12H2,1-2H3,(H,19,20,21)
InChIKeyHPOMHZDCZSYHJT-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.73
Rot. Bonds1

About 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72899051) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72899051
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1ccc3n[nH]nc3c1)CCN2C
InChIInChI=1S/C18H24N6O2/c1-22-8-7-18(6-5-16(22)25)12-24(10-9-23(18)2)17(26)13-3-4-14-15(11-13)20-21-19-14/h3-4,11H,5-10,12H2,1-2H3,(H,19,20,21)
InChIKeyHPOMHZDCZSYHJT-UHFFFAOYSA-N
XLogP0.73
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one 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

1,10-dimethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72914414
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
(6R)-1,10-dimethyl-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97193624
(6S)-4-(3-chloro-4-methylbenzoyl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203698
(6S)-1,10-dimethyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204101
4-(5-ethoxyfuran-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72850908
(6R)-4-(3-ethyl-1H-indole-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201864
(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201812
(6S)-4-[2-(2-methoxyethoxy)acetyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286758
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97112786
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
9-(2H-benzotriazole-5-carbonyl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72903419

Frequently Asked Questions

What is the IUPAC name of 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72899051) is 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(C(=O)c1ccc3n[nH]nc3c1)CCN2C.
What is the InChIKey of 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is HPOMHZDCZSYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-8-7-18(6-5-16(22)25)12-24(10-9-23(18)2)17(26)13-3-4-14-15(11-13)20-21-19-14/h3-4,11H,5-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 356.43 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72899051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).