6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one

C11H8N4O2 — CID 902208

IUPAC6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one
SMILESCc1ccc2occ(-c3nn[nH]n3)c(=O)c2c1
InChIInChI=1S/C11H8N4O2/c1-6-2-3-9-7(4-6)10(16)8(5-17-9)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)
InChIKeyVVCVSDJCXCPMPC-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.28
Rot. Bonds1

About 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one

6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one (PubChem CID 902208) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one
PubChem CID902208
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one
SMILESCc1ccc2occ(-c3nn[nH]n3)c(=O)c2c1
InChIInChI=1S/C11H8N4O2/c1-6-2-3-9-7(4-6)10(16)8(5-17-9)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)
InChIKeyVVCVSDJCXCPMPC-UHFFFAOYSA-N
XLogP1.28
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one?
The IUPAC name of 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one (CID 902208) is 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one.
What is the SMILES notation for 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one?
The canonical SMILES for 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one is Cc1ccc2occ(-c3nn[nH]n3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one?
The InChIKey is VVCVSDJCXCPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-6-2-3-9-7(4-6)10(16)8(5-17-9)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one?
6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one has a molecular weight of 228.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2H-tetrazol-5-yl)chromen-4-one is sourced from PubChem (CID 902208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).