5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C15H17N5O — CID 79755757

IUPAC5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1ccccc1CCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C15H17N5O/c1-10-5-3-4-6-12(10)7-8-16-13-9-14-18-19-15(21)20(14)11(2)17-13/h3-6,9,16H,7-8H2,1-2H3,(H,19,21)
InChIKeyOKFQOZKXMZFHMT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.69
Rot. Bonds4

About 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 79755757) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID79755757
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1ccccc1CCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C15H17N5O/c1-10-5-3-4-6-12(10)7-8-16-13-9-14-18-19-15(21)20(14)11(2)17-13/h3-6,9,16H,7-8H2,1-2H3,(H,19,21)
InChIKeyOKFQOZKXMZFHMT-UHFFFAOYSA-N
XLogP1.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-7-[2-(1-methylpyrazol-3-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106105503
5-methyl-7-(3-methylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283150
5-methyl-7-(2-methylsulfanylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283954
7-(3-chlorobutylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277078
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
5-methyl-7-(4,4,4-trifluorobutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115520580
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
7-[[3-(chloromethyl)phenyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277079
5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281597
5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282609
5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282773
7-[3-(2-hydroxyethoxy)propylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106306812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 79755757) is 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1ccccc1CCNc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OKFQOZKXMZFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-5-3-4-6-12(10)7-8-16-13-9-14-18-19-15(21)20(14)11(2)17-13/h3-6,9,16H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 283.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 79755757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).