2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H18N6O — CID 99110206

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCC[C@@H](N)C3)nc2n1
InChIInChI=1S/C12H18N6O/c1-2-9-6-10(19)18-11(14-9)15-12(16-18)17-5-3-4-8(13)7-17/h6,8H,2-5,7,13H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyMBJVDAIDEVSQKC-MRVPVSSYSA-N
MW262.32 g/mol
LogP-0.09
Rot. Bonds2

About 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 99110206) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID99110206
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCC[C@@H](N)C3)nc2n1
InChIInChI=1S/C12H18N6O/c1-2-9-6-10(19)18-11(14-9)15-12(16-18)17-5-3-4-8(13)7-17/h6,8H,2-5,7,13H2,1H3,(H,14,15,16)/t8-/m1/s1
InChIKeyMBJVDAIDEVSQKC-MRVPVSSYSA-N
XLogP-0.09
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 99110206) is 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N3CCC[C@@H](N)C3)nc2n1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MBJVDAIDEVSQKC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-9-6-10(19)18-11(14-9)15-12(16-18)17-5-3-4-8(13)7-17/h6,8H,2-5,7,13H2,1H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.32 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 99110206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).