5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C11H14N4O — CID 75466253

IUPAC5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCCc1nc2c(c3n[nH]c(=O)n13)CCCC2
InChIInChI=1S/C11H14N4O/c1-2-9-12-8-6-4-3-5-7(8)10-13-14-11(16)15(9)10/h2-6H2,1H3,(H,14,16)
InChIKeyLJHIMIANOMOWQU-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.86
Rot. Bonds1

About 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 75466253) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID75466253
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCCc1nc2c(c3n[nH]c(=O)n13)CCCC2
InChIInChI=1S/C11H14N4O/c1-2-9-12-8-6-4-3-5-7(8)10-13-14-11(16)15(9)10/h2-6H2,1H3,(H,14,16)
InChIKeyLJHIMIANOMOWQU-UHFFFAOYSA-N
XLogP0.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 75466253) is 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is CCc1nc2c(c3n[nH]c(=O)n13)CCCC2.
What is the InChIKey of 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is LJHIMIANOMOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9-12-8-6-4-3-5-7(8)10-13-14-11(16)15(9)10/h2-6H2,1H3,(H,14,16).
What are the key properties of 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 218.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8,9,10-tetrahydro-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 75466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).