6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole

C17H15N3O — CID 57384221

IUPAC6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole
SMILESCc1cc(C)c2c(c1)-c1c(nnn1-c1ccccc1)CO2
InChIInChI=1S/C17H15N3O/c1-11-8-12(2)17-14(9-11)16-15(10-21-17)18-19-20(16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyWUTZZWVYSRDFPS-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.44
Rot. Bonds1

About 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole

6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole (PubChem CID 57384221) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole.

Molecular Properties

Compound Name6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole
PubChem CID57384221
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole
SMILESCc1cc(C)c2c(c1)-c1c(nnn1-c1ccccc1)CO2
InChIInChI=1S/C17H15N3O/c1-11-8-12(2)17-14(9-11)16-15(10-21-17)18-19-20(16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyWUTZZWVYSRDFPS-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4H-chromeno[3,4-d]triazole
CID 57387758
6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole
CID 10680805
5-(3,5-dimethylphenyl)-4-methylsulfinyl-1-phenyltriazole
CID 177309767
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 94962309
5-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenyltriazole-4-carboxamide
CID 46973153
3-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 13110863
5-methyl-1-phenyltriazol-4-ol
CID 15257136
1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86046984

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole?
The IUPAC name of 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole (CID 57384221) is 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole.
What is the SMILES notation for 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole?
The canonical SMILES for 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole is Cc1cc(C)c2c(c1)-c1c(nnn1-c1ccccc1)CO2.
What is the InChIKey of 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole?
The InChIKey is WUTZZWVYSRDFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-8-12(2)17-14(9-11)16-15(10-21-17)18-19-20(16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole?
6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole has a molecular weight of 277.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-phenyl-4H-chromeno[3,4-d]triazole is sourced from PubChem (CID 57384221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).