3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one

C18H24N6O2 — CID 136680842

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCCC1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1
InChIInChI=1S/C18H24N6O2/c25-17-14-16(19-15(20-17)11-5-6-11)24(22-21-14)13-7-9-23(10-8-13)18(26)12-3-1-2-4-12/h11-13H,1-10H2,(H,19,20,25)
InChIKeyGBHROHCNNYHNDD-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.75
Rot. Bonds3

About 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 136680842) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID136680842
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCCC1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1
InChIInChI=1S/C18H24N6O2/c25-17-14-16(19-15(20-17)11-5-6-11)24(22-21-14)13-7-9-23(10-8-13)18(26)12-3-1-2-4-12/h11-13H,1-10H2,(H,19,20,25)
InChIKeyGBHROHCNNYHNDD-UHFFFAOYSA-N
XLogP1.75
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(2,6-dichlorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135418152
5-cyclopropyl-3-[1-(3-fluorobenzoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136680868
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[(2,5-dimethylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135403306
3-[(4-tert-butylphenyl)methyl]-5-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135887350
5-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[(4-methylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135624167
3-[(4-tert-butylphenyl)methyl]-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135477702
5-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-[(2,5-dimethylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135624141
3-[(2,6-dichlorophenyl)methyl]-5-[1-(2-methylpropanoyl)piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135473551
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-propyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136680885
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[(2,5-dimethylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135477677
5-[1-(1-cyclohexylethenyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 143498254
5-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-3-[(2,6-dichlorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135418151

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 136680842) is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one is O=C(C1CCCC1)N1CCC(n2nnc3c(=O)[nH]c(C4CC4)nc32)CC1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GBHROHCNNYHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17-14-16(19-15(20-17)11-5-6-11)24(22-21-14)13-7-9-23(10-8-13)18(26)12-3-1-2-4-12/h11-13H,1-10H2,(H,19,20,25).
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one?
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 356.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-cyclopropyl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 136680842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).