6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O — CID 83878303

IUPAC6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(CCN)c(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-5-11-8-10-4-6(2-3-9)7(14)13(8)12-5/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyTWPGWGLJKPOTHZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.77
Rot. Bonds2

About 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 83878303) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID83878303
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(CCN)c(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-5-11-8-10-4-6(2-3-9)7(14)13(8)12-5/h4H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyTWPGWGLJKPOTHZ-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 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 83878303) is 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2ncc(CCN)c(=O)n2[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is TWPGWGLJKPOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-11-8-10-4-6(2-3-9)7(14)13(8)12-5/h4H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(2-aminoethyl)-2-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 6-(2-aminoethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 83878303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).