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

C10H13N5O — CID 83888796

IUPAC6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCCc1cnc2nc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C10H13N5O/c11-4-3-7-5-12-10-13-8(6-1-2-6)14-15(10)9(7)16/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyVBAZFIJVFPAGEB-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.20
Rot. Bonds3

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

6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 83888796) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID83888796
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCCc1cnc2nc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C10H13N5O/c11-4-3-7-5-12-10-13-8(6-1-2-6)14-15(10)9(7)16/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyVBAZFIJVFPAGEB-UHFFFAOYSA-N
XLogP-0.20
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.20
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-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 83888796) is 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is NCCc1cnc2nc(C3CC3)[nH]n2c1=O.
What is the InChIKey of 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VBAZFIJVFPAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-4-3-7-5-12-10-13-8(6-1-2-6)14-15(10)9(7)16/h5-6H,1-4,11H2,(H,12,13,14).
What are the key properties of 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 219.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 83888796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).