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

C11H16N6O — CID 61297790

IUPAC5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C11H16N6O/c12-8-2-1-3-16(5-8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8H,1-3,5-6,12H2,(H,13,14,15)
InChIKeyRZBICYSKJFWZNV-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.66
Rot. Bonds2

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

5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 61297790) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID61297790
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C11H16N6O/c12-8-2-1-3-16(5-8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8H,1-3,5-6,12H2,(H,13,14,15)
InChIKeyRZBICYSKJFWZNV-UHFFFAOYSA-N
XLogP-0.66
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 61297790) is 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is NC1CCCN(Cc2cc(=O)n3[nH]cnc3n2)C1.
What is the InChIKey of 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RZBICYSKJFWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-8-2-1-3-16(5-8)6-9-4-10(18)17-11(15-9)13-7-14-17/h4,7-8H,1-3,5-6,12H2,(H,13,14,15).
What are the key properties of 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 61297790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).