2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H26N6O2 — CID 98321907

IUPAC2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(C(=O)N3CCCC[C@H]3CCN3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H26N6O2/c1-13-20-18-19-12-15(17(26)24(18)21-13)16(25)23-10-3-2-6-14(23)7-11-22-8-4-5-9-22/h12,14H,2-11H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyHPTQVMZWVICGDR-AWEZNQCLSA-N
MW358.45 g/mol
LogP1.21
Rot. Bonds4

About 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 98321907) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID98321907
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(C(=O)N3CCCC[C@H]3CCN3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H26N6O2/c1-13-20-18-19-12-15(17(26)24(18)21-13)16(25)23-10-3-2-6-14(23)7-11-22-8-4-5-9-22/h12,14H,2-11H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyHPTQVMZWVICGDR-AWEZNQCLSA-N
XLogP1.21
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56908642
2-methyl-6-({2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70714221
2-methyl-6-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70728705
2-methyl-6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746157
2-methyl-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752068
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-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70785889
7-Isopropyl-2-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72878762
2-methyl-6-[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98268253
2-methyl-6-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98268255
(5R)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98307941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 98321907) is 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2ncc(C(=O)N3CCCC[C@H]3CCN3CCCC3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HPTQVMZWVICGDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-20-18-19-12-15(17(26)24(18)21-13)16(25)23-10-3-2-6-14(23)7-11-22-8-4-5-9-22/h12,14H,2-11H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98321907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).