5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H13N5O — CID 105473879

IUPAC5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCNCC2)nc2nc[nH]n12
InChIInChI=1S/C10H13N5O/c16-9-5-8(7-1-3-11-4-2-7)14-10-12-6-13-15(9)10/h5-7,11H,1-4H2,(H,12,13,14)
InChIKeyCAAJYAPHTLSDCO-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.12
Rot. Bonds1

About 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 105473879) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID105473879
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCNCC2)nc2nc[nH]n12
InChIInChI=1S/C10H13N5O/c16-9-5-8(7-1-3-11-4-2-7)14-10-12-6-13-15(9)10/h5-7,11H,1-4H2,(H,12,13,14)
InChIKeyCAAJYAPHTLSDCO-UHFFFAOYSA-N
XLogP-0.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287536
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302
5-(azepan-4-yl)-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 45168309
bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
CID 10257356
5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 31044109
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 106672454
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
CID 59476771
7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 130927911
6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine
CID 105498517

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 105473879) is 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCNCC2)nc2nc[nH]n12.
What is the InChIKey of 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CAAJYAPHTLSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-9-5-8(7-1-3-11-4-2-7)14-10-12-6-13-15(9)10/h5-7,11H,1-4H2,(H,12,13,14).
What are the key properties of 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 219.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 105473879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).