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

C6H7N5O — CID 22624872

IUPAC8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cncn2c(N)nnc12
InChIInChI=1S/C6H7N5O/c1-12-4-2-8-3-11-5(4)9-10-6(11)7/h2-3H,1H3,(H2,7,10)
InChIKeyAZGHTAYYCMAVJI-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.28
Rot. Bonds1

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

8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (PubChem CID 22624872) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.

Molecular Properties

Compound Name8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
PubChem CID22624872
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cncn2c(N)nnc12
InChIInChI=1S/C6H7N5O/c1-12-4-2-8-3-11-5(4)9-10-6(11)7/h2-3H,1H3,(H2,7,10)
InChIKeyAZGHTAYYCMAVJI-UHFFFAOYSA-N
XLogP-0.28
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The IUPAC name of 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (CID 22624872) is 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.
What is the SMILES notation for 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The canonical SMILES for 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is COc1cncn2c(N)nnc12.
What is the InChIKey of 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The InChIKey is AZGHTAYYCMAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-12-4-2-8-3-11-5(4)9-10-6(11)7/h2-3H,1H3,(H2,7,10).
What are the key properties of 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine has a molecular weight of 165.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is sourced from PubChem (CID 22624872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).