2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O — CID 66490209

IUPAC2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-3-9-7-11-8-10-5(2)4-6(14)13(8)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyZAQKWTFXCSJVHN-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.16
Rot. Bonds2

About 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 66490209) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID66490209
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-3-9-7-11-8-10-5(2)4-6(14)13(8)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyZAQKWTFXCSJVHN-UHFFFAOYSA-N
XLogP0.16
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 66490209) is 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCNc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZAQKWTFXCSJVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-9-7-11-8-10-5(2)4-6(14)13(8)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66490209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).