[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone

C13H15N5O2 — CID 56763218

IUPAC[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15N5O2/c1-10-14-15-16-18(10)12-4-2-3-11(9-12)13(19)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3
InChIKeyZKXQPHRRCSZJJG-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.44
Rot. Bonds2

About [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone

[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 56763218) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID56763218
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15N5O2/c1-10-14-15-16-18(10)12-4-2-3-11(9-12)13(19)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3
InChIKeyZKXQPHRRCSZJJG-UHFFFAOYSA-N
XLogP0.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719140
[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 74249670
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 92614139
[(6aS,9aR)-2-methyl-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-h]quinazolin-8-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 95802973

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone (CID 56763218) is [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone is Cc1nnnn1-c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZKXQPHRRCSZJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10-14-15-16-18(10)12-4-2-3-11(9-12)13(19)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3.
What are the key properties of [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone?
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 273.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56763218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).