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

C10H15N5O2 — CID 66281401

IUPAC7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCOCCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-3-17-5-4-11-8-6-9-13-14-10(16)15(9)7(2)12-8/h6,11H,3-5H2,1-2H3,(H,14,16)
InChIKeyABDDMUMRGYJBGE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.17
Rot. Bonds5

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

7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281401) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281401
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCOCCNc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-3-17-5-4-11-8-6-9-13-14-10(16)15(9)7(2)12-8/h6,11H,3-5H2,1-2H3,(H,14,16)
InChIKeyABDDMUMRGYJBGE-UHFFFAOYSA-N
XLogP0.17
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281401) is 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCOCCNc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ABDDMUMRGYJBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-17-5-4-11-8-6-9-13-14-10(16)15(9)7(2)12-8/h6,11H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.26 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).