2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine

C8H11N5O — CID 62347699

IUPAC2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
SMILESCc1cc(OCCN)n2ncnc2n1
InChIInChI=1S/C8H11N5O/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3,9H2,1H3
InChIKeyIKPISVNDPUWJEZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine (PubChem CID 62347699) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
PubChem CID62347699
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine
SMILESCc1cc(OCCN)n2ncnc2n1
InChIInChI=1S/C8H11N5O/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3,9H2,1H3
InChIKeyIKPISVNDPUWJEZ-UHFFFAOYSA-N
XLogP-0.23
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine (CID 62347699) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine is Cc1cc(OCCN)n2ncnc2n1.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
The InChIKey is IKPISVNDPUWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3,9H2,1H3.
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine?
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine has a molecular weight of 193.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethanamine is sourced from PubChem (CID 62347699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).