1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H10N4O — CID 135758946

IUPAC1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2c(n1)NCN2C
InChIInChI=1S/C7H10N4O/c1-5-3-6(12)11-7(9-5)8-4-10(11)2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyCUYJLQVSWWGUIM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.50
Rot. Bonds

About 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 135758946) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID135758946
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2c(n1)NCN2C
InChIInChI=1S/C7H10N4O/c1-5-3-6(12)11-7(9-5)8-4-10(11)2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyCUYJLQVSWWGUIM-UHFFFAOYSA-N
XLogP-0.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3a,4-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one
CID 13628034
5-methyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-7-one
CID 57102876
5-Methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione
CID 135621438
1-Chloro-5-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 135621439
5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one
CID 136005085
methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 158398126
2-deuterio-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 168087843
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
5-methyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 136082451
5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 136755995

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 135758946) is 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2c(n1)NCN2C.
What is the InChIKey of 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CUYJLQVSWWGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-3-6(12)11-7(9-5)8-4-10(11)2/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 166.18 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135758946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).