6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one

C12H14N6O2 — CID 146077602

IUPAC6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCCc1onc(C)c1Cn1cnc2c(nnn2C)c1=O
InChIInChI=1S/C12H14N6O2/c1-4-9-8(7(2)15-20-9)5-18-6-13-11-10(12(18)19)14-16-17(11)3/h6H,4-5H2,1-3H3
InChIKeyDGBSTQSZRRPMKO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.43
Rot. Bonds3

About 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one

6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 146077602) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID146077602
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCCc1onc(C)c1Cn1cnc2c(nnn2C)c1=O
InChIInChI=1S/C12H14N6O2/c1-4-9-8(7(2)15-20-9)5-18-6-13-11-10(12(18)19)14-16-17(11)3/h6H,4-5H2,1-3H3
InChIKeyDGBSTQSZRRPMKO-UHFFFAOYSA-N
XLogP0.43
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one (CID 146077602) is 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one is CCc1onc(C)c1Cn1cnc2c(nnn2C)c1=O.
What is the InChIKey of 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is DGBSTQSZRRPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-4-9-8(7(2)15-20-9)5-18-6-13-11-10(12(18)19)14-16-17(11)3/h6H,4-5H2,1-3H3.
What are the key properties of 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one?
6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 274.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 146077602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).