7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H15N5O2 — CID 66282689

IUPAC7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(=O)C1CCN(c2cc3n[nH]c(=O)n3cn2)CC1
InChIInChI=1S/C12H15N5O2/c1-8(18)9-2-4-16(5-3-9)10-6-11-14-15-12(19)17(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,15,19)
InChIKeyHVYURUWKUCAPKF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.22
Rot. Bonds2

About 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282689) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282689
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(=O)C1CCN(c2cc3n[nH]c(=O)n3cn2)CC1
InChIInChI=1S/C12H15N5O2/c1-8(18)9-2-4-16(5-3-9)10-6-11-14-15-12(19)17(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,15,19)
InChIKeyHVYURUWKUCAPKF-UHFFFAOYSA-N
XLogP0.22
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282689) is 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(=O)C1CCN(c2cc3n[nH]c(=O)n3cn2)CC1.
What is the InChIKey of 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is HVYURUWKUCAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(18)9-2-4-16(5-3-9)10-6-11-14-15-12(19)17(11)7-13-10/h6-7,9H,2-5H2,1H3,(H,15,19).
What are the key properties of 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 261.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).