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

C10H11N7O2 — CID 106402667

IUPAC5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(CNc2cc3n[nH]c(=O)n3c(C)n2)no1
InChIInChI=1S/C10H11N7O2/c1-5-12-7(3-9-14-15-10(18)17(5)9)11-4-8-13-6(2)19-16-8/h3,11H,4H2,1-2H3,(H,15,18)
InChIKeyVMROCXVBIUYCCH-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.03
Rot. Bonds3

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

5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106402667) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106402667
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(CNc2cc3n[nH]c(=O)n3c(C)n2)no1
InChIInChI=1S/C10H11N7O2/c1-5-12-7(3-9-14-15-10(18)17(5)9)11-4-8-13-6(2)19-16-8/h3,11H,4H2,1-2H3,(H,15,18)
InChIKeyVMROCXVBIUYCCH-UHFFFAOYSA-N
XLogP0.03
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106402667) is 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(CNc2cc3n[nH]c(=O)n3c(C)n2)no1.
What is the InChIKey of 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is VMROCXVBIUYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c1-5-12-7(3-9-14-15-10(18)17(5)9)11-4-8-13-6(2)19-16-8/h3,11H,4H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 261.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106402667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).