2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one

C11H11N5O2 — CID 137389821

IUPAC2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
SMILESCn1nnnc1CON1Cc2ccccc2C1=O
InChIInChI=1S/C11H11N5O2/c1-15-10(12-13-14-15)7-18-16-6-8-4-2-3-5-9(8)11(16)17/h2-5H,6-7H2,1H3
InChIKeyCGEDZNHSLIDBNI-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.30
Rot. Bonds3

About 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one

2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one (PubChem CID 137389821) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
PubChem CID137389821
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
SMILESCn1nnnc1CON1Cc2ccccc2C1=O
InChIInChI=1S/C11H11N5O2/c1-15-10(12-13-14-15)7-18-16-6-8-4-2-3-5-9(8)11(16)17/h2-5H,6-7H2,1H3
InChIKeyCGEDZNHSLIDBNI-UHFFFAOYSA-N
XLogP0.30
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yloxy-3H-isoindol-1-one
CID 89303277
2-(azetidin-3-yloxy)-3H-isoindol-1-one
CID 175803051
2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
CID 175936007
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-(3-ethoxycyclohexyl)oxy-3H-isoindol-1-one
CID 151166905
CID 167712207
CID 167712207
2-stannyl-3H-isoindol-1-one
CID 151195244
2-bromo-3H-isoindol-1-one
CID 86611253
2-nonyl-3H-isoindol-1-one
CID 132543397
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(3-oxo-1H-isoindol-2-yl)oxy]ethyl]amino]butanoic acid
CID 155196821

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one (CID 137389821) is 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one is Cn1nnnc1CON1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one?
The InChIKey is CGEDZNHSLIDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-15-10(12-13-14-15)7-18-16-6-8-4-2-3-5-9(8)11(16)17/h2-5H,6-7H2,1H3.
What are the key properties of 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one?
2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one has a molecular weight of 245.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 137389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).