6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H24N6O2 — CID 98323067

IUPAC6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1cnc2nc[nH]n2c1=O)N1CCC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C17H24N6O2/c24-15(14-9-18-17-19-12-20-23(17)16(14)25)22-8-4-5-13(11-22)10-21-6-2-1-3-7-21/h9,12-13H,1-8,10-11H2,(H,18,19,20)/t13-/m0/s1
InChIKeyLBMOIOKOFUIDLH-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.76
Rot. Bonds3

About 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 98323067) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID98323067
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C(c1cnc2nc[nH]n2c1=O)N1CCC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C17H24N6O2/c24-15(14-9-18-17-19-12-20-23(17)16(14)25)22-8-4-5-13(11-22)10-21-6-2-1-3-7-21/h9,12-13H,1-8,10-11H2,(H,18,19,20)/t13-/m0/s1
InChIKeyLBMOIOKOFUIDLH-ZDUSSCGKSA-N
XLogP0.76
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-Butyl-8-[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70710744
6-{[3-(1-piperidinylmethyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746554
N-methyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 70772271
6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777431
2-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70782757
6-[(3R)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98323066
6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365832
6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365833
7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 154873954
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 167982148

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 98323067) is 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=C(c1cnc2nc[nH]n2c1=O)N1CCC[C@@H](CN2CCCCC2)C1.
What is the InChIKey of 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LBMOIOKOFUIDLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-15(14-9-18-17-19-12-20-23(17)16(14)25)22-8-4-5-13(11-22)10-21-6-2-1-3-7-21/h9,12-13H,1-8,10-11H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.42 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98323067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).