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

C12H12N6O — CID 13267905

IUPAC2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCCc1nc2ccc(C)cc2c(=O)n1-c1nn[nH]n1
InChIInChI=1S/C12H12N6O/c1-3-10-13-9-5-4-7(2)6-8(9)11(19)18(10)12-14-16-17-15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyHJGDZVSZULCKJF-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.77
Rot. Bonds2

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

2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (PubChem CID 13267905) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
PubChem CID13267905
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCCc1nc2ccc(C)cc2c(=O)n1-c1nn[nH]n1
InChIInChI=1S/C12H12N6O/c1-3-10-13-9-5-4-7(2)6-8(9)11(19)18(10)12-14-16-17-15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyHJGDZVSZULCKJF-UHFFFAOYSA-N
XLogP0.77
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The IUPAC name of 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (CID 13267905) is 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is CCc1nc2ccc(C)cc2c(=O)n1-c1nn[nH]n1.
What is the InChIKey of 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The InChIKey is HJGDZVSZULCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-3-10-13-9-5-4-7(2)6-8(9)11(19)18(10)12-14-16-17-15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one has a molecular weight of 256.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 13267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).