morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone

C12H13N5O2 — CID 32686320

IUPACmorpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C12H13N5O2/c18-12(17-5-7-19-8-6-17)10-3-1-9(2-4-10)11-13-15-16-14-11/h1-4H,5-8H2,(H,13,14,15,16)
InChIKeyQMWRLFHPIIJAEG-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.34
Rot. Bonds2

About morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone

morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 32686320) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID32686320
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Namemorpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C12H13N5O2/c18-12(17-5-7-19-8-6-17)10-3-1-9(2-4-10)11-13-15-16-14-11/h1-4H,5-8H2,(H,13,14,15,16)
InChIKeyQMWRLFHPIIJAEG-UHFFFAOYSA-N
XLogP0.34
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 103745670
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 115874457
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 154749674
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 25219261
1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one
CID 72868778
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone (CID 32686320) is morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is QMWRLFHPIIJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-12(17-5-7-19-8-6-17)10-3-1-9(2-4-10)11-13-15-16-14-11/h1-4H,5-8H2,(H,13,14,15,16).
What are the key properties of morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone?
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 259.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 32686320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).