4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione

C10H7N5O3 — CID 90849315

IUPAC4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(c1nn[nH]n1)C2=O
InChIInChI=1S/C10H7N5O3/c1-18-6-4-2-3-5-7(6)9(17)15(8(5)16)10-11-13-14-12-10/h2-4H,1H3,(H,11,12,13,14)
InChIKeyBFHHNUCIPWSCBT-UHFFFAOYSA-N
MW245.20 g/mol
LogP0.01
Rot. Bonds2

About 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione

4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione (PubChem CID 90849315) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione
PubChem CID90849315
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC Name4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(c1nn[nH]n1)C2=O
InChIInChI=1S/C10H7N5O3/c1-18-6-4-2-3-5-7(6)9(17)15(8(5)16)10-11-13-14-12-10/h2-4H,1H3,(H,11,12,13,14)
InChIKeyBFHHNUCIPWSCBT-UHFFFAOYSA-N
XLogP0.01
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 144893572
1,5-dimethoxyfluoren-9-one
CID 19594782
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
2-[4,6-bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl)-1,3,5-triazin-2-yl]-5,6-dimethoxyisoindole-1,3-dione
CID 20721736
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
methyl (2S,3R)-3-hydroxy-2-[(4-methoxy-1,3-dioxoisoindol-2-yl)methyl]butanoate
CID 10425311
4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione
CID 70171779
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
CID 67644966

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione?
The IUPAC name of 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione (CID 90849315) is 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione is COc1cccc2c1C(=O)N(c1nn[nH]n1)C2=O.
What is the InChIKey of 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione?
The InChIKey is BFHHNUCIPWSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3/c1-18-6-4-2-3-5-7(6)9(17)15(8(5)16)10-11-13-14-12-10/h2-4H,1H3,(H,11,12,13,14).
What are the key properties of 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione?
4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione has a molecular weight of 245.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 90849315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).