5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

C7H9N5O2 — CID 22624874

IUPAC5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cnc(OC)n2c(N)nnc12
InChIInChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-11-6(12)8/h3H,1-2H3,(H2,8,11)
InChIKeyPPIIFGXVOZROOS-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.28
Rot. Bonds2

About 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (PubChem CID 22624874) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.

Molecular Properties

Compound Name5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
PubChem CID22624874
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cnc(OC)n2c(N)nnc12
InChIInChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-11-6(12)8/h3H,1-2H3,(H2,8,11)
InChIKeyPPIIFGXVOZROOS-UHFFFAOYSA-N
XLogP-0.28
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The IUPAC name of 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (CID 22624874) is 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.
What is the SMILES notation for 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The canonical SMILES for 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is COc1cnc(OC)n2c(N)nnc12.
What is the InChIKey of 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The InChIKey is PPIIFGXVOZROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-11-6(12)8/h3H,1-2H3,(H2,8,11).
What are the key properties of 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine has a molecular weight of 195.18 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is sourced from PubChem (CID 22624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).