4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

C16H12N4O2 — CID 649422

IUPAC4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2c(=O)[nH]nc12
InChIInChI=1S/C16H12N4O2/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22)
InChIKeyAOSYZMDEBPFQNU-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.64
Rot. Bonds1

About 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione (PubChem CID 649422) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
PubChem CID649422
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2c(=O)[nH]nc12
InChIInChI=1S/C16H12N4O2/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22)
InChIKeyAOSYZMDEBPFQNU-UHFFFAOYSA-N
XLogP1.64
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The IUPAC name of 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione (CID 649422) is 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione.
What is the SMILES notation for 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The canonical SMILES for 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione is Cc1ccccc1-n1c(=O)c2ccccc2n2c(=O)[nH]nc12.
What is the InChIKey of 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
The InChIKey is AOSYZMDEBPFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-10-6-2-4-8-12(10)19-14(21)11-7-3-5-9-13(11)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22).
What are the key properties of 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione?
4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione has a molecular weight of 292.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione is sourced from PubChem (CID 649422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).