6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

C16H18N6O2 — CID 139415060

IUPAC6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3ccccc3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C16H18N6O2/c23-15-13-14(22(20-19-13)12-4-2-1-3-5-12)18-11-21(15)10-16(24)6-8-17-9-7-16/h1-5,11,17,24H,6-10H2
InChIKeyPDLUVHRZXJALJH-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.09
Rot. Bonds3

About 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 139415060) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID139415060
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3ccccc3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C16H18N6O2/c23-15-13-14(22(20-19-13)12-4-2-1-3-5-12)18-11-21(15)10-16(24)6-8-17-9-7-16/h1-5,11,17,24H,6-10H2
InChIKeyPDLUVHRZXJALJH-UHFFFAOYSA-N
XLogP0.09
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 151080774
5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 146222171
6-(3-methylbut-2-enyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780771
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222123
6-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 71870144
N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 47092806
6-(4-methoxybut-2-ynyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780959
3-phenyl-6-[[4-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7111163
6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159336
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 5310015
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 51106016

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (CID 139415060) is 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is O=c1c2nnn(-c3ccccc3)c2ncn1CC1(O)CCNCC1.
What is the InChIKey of 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is PDLUVHRZXJALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-15-13-14(22(20-19-13)12-4-2-1-3-5-12)18-11-21(15)10-16(24)6-8-17-9-7-16/h1-5,11,17,24H,6-10H2.
What are the key properties of 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 326.36 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 139415060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).