8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H19N7O2 — CID 91782990

IUPAC8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C(=O)N1
InChIInChI=1S/C16H19N7O2/c1-22(2)15-17-14(25)16(18-15)5-7-23(8-6-16)13(24)10-3-4-11-12(9-10)20-21-19-11/h3-4,9H,5-8H2,1-2H3,(H,17,18,25)(H,19,20,21)
InChIKeyNSIHEYBEFSTPKQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP-0.02
Rot. Bonds1

About 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 91782990) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID91782990
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C(=O)N1
InChIInChI=1S/C16H19N7O2/c1-22(2)15-17-14(25)16(18-15)5-7-23(8-6-16)13(24)10-3-4-11-12(9-10)20-21-19-11/h3-4,9H,5-8H2,1-2H3,(H,17,18,25)(H,19,20,21)
InChIKeyNSIHEYBEFSTPKQ-UHFFFAOYSA-N
XLogP-0.02
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118781576
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
2-(dimethylamino)-8-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122131164
2-(dimethylamino)-8-[(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131949792
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603
2-(dimethylamino)-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118770086
2-(dimethylamino)-8-[(5S)-5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 126439526
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 72940231
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 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 91782990) is 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C(=O)N1.
What is the InChIKey of 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is NSIHEYBEFSTPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-22(2)15-17-14(25)16(18-15)5-7-23(8-6-16)13(24)10-3-4-11-12(9-10)20-21-19-11/h3-4,9H,5-8H2,1-2H3,(H,17,18,25)(H,19,20,21).
What are the key properties of 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 341.38 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 91782990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).