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

C12H19N5O2 — CID 166244194

IUPAC(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCC1(C)CCC1C(=O)N1CCOC(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O2/c1-12(2)4-3-8(12)11(18)17-5-6-19-9(7-17)10-13-15-16-14-10/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyIGYHXVBECNJRCP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.54
Rot. Bonds2

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

(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 166244194) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID166244194
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCC1(C)CCC1C(=O)N1CCOC(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O2/c1-12(2)4-3-8(12)11(18)17-5-6-19-9(7-17)10-13-15-16-14-10/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyIGYHXVBECNJRCP-UHFFFAOYSA-N
XLogP0.54
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157012718
pyrazolo[1,5-a]pyridin-5-yl-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 165418573
(7-fluoro-3-methyl-1H-indol-2-yl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157018576
3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
CID 166219169
(2,2-dimethylcyclopentyl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 107180979
[(1R,2S)-2-cyclohexylcyclopropyl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129425416
methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate
CID 164692154
6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157013025
(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003221
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
CID 52809539
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]cyclobutane-1-carbonitrile
CID 167963882

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (CID 166244194) is (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is CC1(C)CCC1C(=O)N1CCOC(c2nn[nH]n2)C1.
What is the InChIKey of (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is IGYHXVBECNJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-12(2)4-3-8(12)11(18)17-5-6-19-9(7-17)10-13-15-16-14-10/h8-9H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 265.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 166244194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).