2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

C17H16N8O3 — CID 6413056

IUPAC2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C17H16N8O3/c26-17(11-3-4-13-15(8-11)20-22-19-13)24-6-7-27-12(9-24)10-28-25-16-14(21-23-25)2-1-5-18-16/h1-5,8,12H,6-7,9-10H2,(H,19,20,22)
InChIKeyMTYUGOSKMUUGLM-UHFFFAOYSA-N
MW380.37 g/mol
LogP0.07
Rot. Bonds4

About 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 6413056) has the molecular formula C17H16N8O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
PubChem CID6413056
Molecular FormulaC17H16N8O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C17H16N8O3/c26-17(11-3-4-13-15(8-11)20-22-19-13)24-6-7-27-12(9-24)10-28-25-16-14(21-23-25)2-1-5-18-16/h1-5,8,12H,6-7,9-10H2,(H,19,20,22)
InChIKeyMTYUGOSKMUUGLM-UHFFFAOYSA-N
XLogP0.07
TPSA123.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 3561816
(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 3375909
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 5128261
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
CID 3475985
N-(2,3-dihydro-1H-inden-2-yl)-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide
CID 3785464
2-(5-chloro-1-benzothiophen-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 3836749
4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
CID 3711655
1-methyl-5-pyridin-3-yl-4-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 3833751
methyl 4-methyl-3-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylate
CID 3689884
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (CID 6413056) is 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCOC(COn2nnc3cccnc32)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is MTYUGOSKMUUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O3/c26-17(11-3-4-13-15(8-11)20-22-19-13)24-6-7-27-12(9-24)10-28-25-16-14(21-23-25)2-1-5-18-16/h1-5,8,12H,6-7,9-10H2,(H,19,20,22).
What are the key properties of 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 380.37 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 6413056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).