2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone

C16H20N4O — CID 86804539

IUPAC2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone
SMILESCC1CCC2(CCN(C(=O)c3cccc4n[nH]nc34)C2)C1
InChIInChI=1S/C16H20N4O/c1-11-5-6-16(9-11)7-8-20(10-16)15(21)12-3-2-4-13-14(12)18-19-17-13/h2-4,11H,5-10H2,1H3,(H,17,18,19)
InChIKeyNNLUHUAQMQICRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.61
Rot. Bonds1

About 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone

2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone (PubChem CID 86804539) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone
PubChem CID86804539
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone
SMILESCC1CCC2(CCN(C(=O)c3cccc4n[nH]nc34)C2)C1
InChIInChI=1S/C16H20N4O/c1-11-5-6-16(9-11)7-8-20(10-16)15(21)12-3-2-4-13-14(12)18-19-17-13/h2-4,11H,5-10H2,1H3,(H,17,18,19)
InChIKeyNNLUHUAQMQICRM-UHFFFAOYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-benzotriazol-4-yl(1,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 167865582
[3-(azepan-1-yl)piperidin-1-yl]-(2H-benzotriazol-4-yl)methanone
CID 119034600
7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146041620
azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374
8-methyl-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146131989
copper bis(2H-benzotriazole-4-carboxylate)
CID 70170962
[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 129331093
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70716826
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
2H-benzotriazole-4-carboxylic acid;tetrabutylphosphanium
CID 175789325

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone?
The IUPAC name of 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone (CID 86804539) is 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone?
The canonical SMILES for 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone is CC1CCC2(CCN(C(=O)c3cccc4n[nH]nc34)C2)C1.
What is the InChIKey of 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone?
The InChIKey is NNLUHUAQMQICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-6-16(9-11)7-8-20(10-16)15(21)12-3-2-4-13-14(12)18-19-17-13/h2-4,11H,5-10H2,1H3,(H,17,18,19).
What are the key properties of 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone?
2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone is sourced from PubChem (CID 86804539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).