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

C10H15N5O — CID 83890004

IUPAC6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2ncc(CCN)c(=O)n2[nH]1
InChIInChI=1S/C10H15N5O/c1-6(2)8-13-10-12-5-7(3-4-11)9(16)15(10)14-8/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyVTAJEJTWDVHMDA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.04
Rot. Bonds3

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

6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 83890004) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID83890004
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2ncc(CCN)c(=O)n2[nH]1
InChIInChI=1S/C10H15N5O/c1-6(2)8-13-10-12-5-7(3-4-11)9(16)15(10)14-8/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyVTAJEJTWDVHMDA-UHFFFAOYSA-N
XLogP0.04
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.04
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-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 83890004) is 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1nc2ncc(CCN)c(=O)n2[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VTAJEJTWDVHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)8-13-10-12-5-7(3-4-11)9(16)15(10)14-8/h5-6H,3-4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(2-aminoethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 221.26 g/mol, XLogP of 0.04, 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-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 83890004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).