4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one

C15H11N5O — CID 654449

IUPAC4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2nnnc12
InChIInChI=1S/C15H11N5O/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)16-17-18-20/h2-9H,1H3
InChIKeyFLFNULBRGNYAPB-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.74
Rot. Bonds1

About 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one

4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one (PubChem CID 654449) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one
PubChem CID654449
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2nnnc12
InChIInChI=1S/C15H11N5O/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)16-17-18-20/h2-9H,1H3
InChIKeyFLFNULBRGNYAPB-UHFFFAOYSA-N
XLogP1.74
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one (CID 654449) is 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one is Cc1ccccc1-n1c(=O)c2ccccc2n2nnnc12.
What is the InChIKey of 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one?
The InChIKey is FLFNULBRGNYAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)16-17-18-20/h2-9H,1H3.
What are the key properties of 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one?
4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one has a molecular weight of 277.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)tetrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 654449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).