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

C8H11N5O — CID 82469005

IUPAC2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CCN)nc2n1
InChIInChI=1S/C8H11N5O/c1-5-4-7(14)13-8(10-5)11-6(12-13)2-3-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyDZXVCHGSDUTPLY-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.77
Rot. Bonds2

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

2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 82469005) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID82469005
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CCN)nc2n1
InChIInChI=1S/C8H11N5O/c1-5-4-7(14)13-8(10-5)11-6(12-13)2-3-9/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyDZXVCHGSDUTPLY-UHFFFAOYSA-N
XLogP-0.77
TPSA89.07 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 ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 82469005) is 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CCN)nc2n1.
What is the InChIKey of 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DZXVCHGSDUTPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-4-7(14)13-8(10-5)11-6(12-13)2-3-9/h4H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82469005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).