5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N4O — CID 94076853

IUPAC5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1nc(CC)n2c(=O)[nH]nc2c1C
InChIInChI=1S/C10H14N4O/c1-4-7-6(3)9-12-13-10(15)14(9)8(5-2)11-7/h4-5H2,1-3H3,(H,13,15)
InChIKeyLPRBZESNGRWYQQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.85
Rot. Bonds2

About 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076853) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076853
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1nc(CC)n2c(=O)[nH]nc2c1C
InChIInChI=1S/C10H14N4O/c1-4-7-6(3)9-12-13-10(15)14(9)8(5-2)11-7/h4-5H2,1-3H3,(H,13,15)
InChIKeyLPRBZESNGRWYQQ-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076853) is 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1nc(CC)n2c(=O)[nH]nc2c1C.
What is the InChIKey of 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is LPRBZESNGRWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-7-6(3)9-12-13-10(15)14(9)8(5-2)11-7/h4-5H2,1-3H3,(H,13,15).
What are the key properties of 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).