3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione

C11H7N3O4 — CID 82369496

IUPAC3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
SMILESCOc1ccc(-n2nnc3c2C(=O)OC3=O)cc1
InChIInChI=1S/C11H7N3O4/c1-17-7-4-2-6(3-5-7)14-9-8(12-13-14)10(15)18-11(9)16/h2-5H,1H3
InChIKeyKHIZYPYGCUCUGD-UHFFFAOYSA-N
MW245.19 g/mol
LogP0.59
Rot. Bonds2

About 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione

3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione (PubChem CID 82369496) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
PubChem CID82369496
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
SMILESCOc1ccc(-n2nnc3c2C(=O)OC3=O)cc1
InChIInChI=1S/C11H7N3O4/c1-17-7-4-2-6(3-5-7)14-9-8(12-13-14)10(15)18-11(9)16/h2-5H,1H3
InChIKeyKHIZYPYGCUCUGD-UHFFFAOYSA-N
XLogP0.59
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,7-bis(4-methoxyphenyl)triazolo[4,5-f]benzotriazole-4,8-dione
CID 139192212
4-(4,6-dioxofuro[3,4-d]triazol-3-yl)benzoic acid
CID 82369565
3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369550
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
1-(4-methoxyphenyl)-4-methyltetrazol-5-one
CID 139194376
5-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937028
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
5-azido-1-(4-methoxyphenyl)-4-phenyltriazole
CID 14612175
3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
CID 3536587
5-(3-aminophenyl)-1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 94940637
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
5-cyclobutyl-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 82196251

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The IUPAC name of 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione (CID 82369496) is 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The canonical SMILES for 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione is COc1ccc(-n2nnc3c2C(=O)OC3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The InChIKey is KHIZYPYGCUCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c1-17-7-4-2-6(3-5-7)14-9-8(12-13-14)10(15)18-11(9)16/h2-5H,1H3.
What are the key properties of 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione has a molecular weight of 245.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione is sourced from PubChem (CID 82369496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).