7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one

C14H14N4O2 — CID 75482323

IUPAC7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1C
InChIInChI=1S/C14H14N4O2/c1-8-4-5-12-11(7-18-10(3)15-16-17-18)6-13(19)20-14(12)9(8)2/h4-6H,7H2,1-3H3
InChIKeyOKKRTTHQRIHINM-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.75
Rot. Bonds2

About 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one

7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one (PubChem CID 75482323) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
PubChem CID75482323
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1C
InChIInChI=1S/C14H14N4O2/c1-8-4-5-12-11(7-18-10(3)15-16-17-18)6-13(19)20-14(12)9(8)2/h4-6H,7H2,1-3H3
InChIKeyOKKRTTHQRIHINM-UHFFFAOYSA-N
XLogP1.75
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-1-methyl-1,2,4-triazol-3-one
CID 100689569
(7,8-dimethyl-2-oxochromen-4-yl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908896
4-[(4-benzhydrylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2450878
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
7,8-dimethyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 25471764
7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 166200215
4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 9261901
propan-2-yl 3-[2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]tetrazol-5-yl]benzoate
CID 55412343
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 2099268
7,8-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one
CID 2690511

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one?
The IUPAC name of 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one (CID 75482323) is 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one is Cc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1C.
What is the InChIKey of 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one?
The InChIKey is OKKRTTHQRIHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-4-5-12-11(7-18-10(3)15-16-17-18)6-13(19)20-14(12)9(8)2/h4-6H,7H2,1-3H3.
What are the key properties of 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one?
7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 75482323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).