(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone

C16H20N4O2 — CID 128716633

IUPAC(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCOC(C4CCC4)C3)ccc21
InChIInChI=1S/C16H20N4O2/c1-19-14-6-5-12(9-13(14)17-18-19)16(21)20-7-8-22-15(10-20)11-3-2-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyKVPMJYKLLHTQNV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds2

About (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone

(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone (PubChem CID 128716633) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
PubChem CID128716633
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCOC(C4CCC4)C3)ccc21
InChIInChI=1S/C16H20N4O2/c1-19-14-6-5-12(9-13(14)17-18-19)16(21)20-7-8-22-15(10-20)11-3-2-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyKVPMJYKLLHTQNV-UHFFFAOYSA-N
XLogP1.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96996923
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
(4aS,8aR)-6-(1-methylbenzotriazole-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56897582
(1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 128988759
2-cyclobutyl-N-(1,3-dimethylindazol-6-yl)morpholine-4-carboxamide
CID 128789472
1-[(5aR,9aS)-8-(quinoline-6-carbonyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97403439
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 154799180

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone?
The IUPAC name of (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone (CID 128716633) is (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone.
What is the SMILES notation for (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone?
The canonical SMILES for (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone is Cn1nnc2cc(C(=O)N3CCOC(C4CCC4)C3)ccc21.
What is the InChIKey of (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone?
The InChIKey is KVPMJYKLLHTQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-14-6-5-12(9-13(14)17-18-19)16(21)20-7-8-22-15(10-20)11-3-2-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3.
What are the key properties of (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone?
(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 128716633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).