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

C9H13N5O — CID 115025129

IUPAC5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(CCN)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-2-7-12-9-11-6(3-4-10)5-8(15)14(9)13-7/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyUCGPQTYDSJCDMK-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.52
Rot. Bonds3

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

5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 115025129) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID115025129
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(CCN)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-2-7-12-9-11-6(3-4-10)5-8(15)14(9)13-7/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyUCGPQTYDSJCDMK-UHFFFAOYSA-N
XLogP-0.52
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 115025129) is 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(CCN)cc(=O)n2[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UCGPQTYDSJCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-7-12-9-11-6(3-4-10)5-8(15)14(9)13-7/h5H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 207.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115025129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).