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

C11H13N7O — CID 66274686

IUPAC7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(-n2ccnc2CCN)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H13N7O/c1-7-14-9(6-10-15-16-11(19)18(7)10)17-5-4-13-8(17)2-3-12/h4-6H,2-3,12H2,1H3,(H,16,19)
InChIKeyJFAZJURTBYDVGQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.59
Rot. Bonds3

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

7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66274686) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66274686
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(-n2ccnc2CCN)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H13N7O/c1-7-14-9(6-10-15-16-11(19)18(7)10)17-5-4-13-8(17)2-3-12/h4-6H,2-3,12H2,1H3,(H,16,19)
InChIKeyJFAZJURTBYDVGQ-UHFFFAOYSA-N
XLogP-0.59
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66274686) is 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(-n2ccnc2CCN)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is JFAZJURTBYDVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-7-14-9(6-10-15-16-11(19)18(7)10)17-5-4-13-8(17)2-3-12/h4-6H,2-3,12H2,1H3,(H,16,19).
What are the key properties of 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 259.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-aminoethyl)imidazol-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66274686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).