5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O — CID 115300763

IUPAC5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNC1CCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C11H16N6O/c1-7-13-9(16-4-3-8(6-16)12-2)5-10-14-15-11(18)17(7)10/h5,8,12H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyBBFLNQFHFGGPHL-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.48
Rot. Bonds2

About 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 115300763) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID115300763
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNC1CCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C11H16N6O/c1-7-13-9(16-4-3-8(6-16)12-2)5-10-14-15-11(18)17(7)10/h5,8,12H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyBBFLNQFHFGGPHL-UHFFFAOYSA-N
XLogP-0.48
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282087
7-[3-(2-chloroethyl)piperidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66275354
7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81115518
7-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114782238
7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283149
7-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283768
4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114253413
7-(3,5-diethylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 82699252
7-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284164
1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid
CID 66282018
5-methyl-7-[(2-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 115300763) is 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNC1CCN(c2cc3n[nH]c(=O)n3c(C)n2)C1.
What is the InChIKey of 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is BBFLNQFHFGGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-13-9(16-4-3-8(6-16)12-2)5-10-14-15-11(18)17(7)10/h5,8,12H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 115300763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).