2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H22N6O3 — CID 98373219

IUPAC2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(C(=O)N3CCN(CC(C)C)C(=O)[C@@H]3C)c(=O)n2[nH]1
InChIInChI=1S/C16H22N6O3/c1-9(2)8-20-5-6-21(10(3)13(20)23)14(24)12-7-17-16-18-11(4)19-22(16)15(12)25/h7,9-10H,5-6,8H2,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyMOOFMCWTCITVAU-JTQLQIEISA-N
MW346.39 g/mol
LogP0.05
Rot. Bonds3

About 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 98373219) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID98373219
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(C(=O)N3CCN(CC(C)C)C(=O)[C@@H]3C)c(=O)n2[nH]1
InChIInChI=1S/C16H22N6O3/c1-9(2)8-20-5-6-21(10(3)13(20)23)14(24)12-7-17-16-18-11(4)19-22(16)15(12)25/h7,9-10H,5-6,8H2,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyMOOFMCWTCITVAU-JTQLQIEISA-N
XLogP0.05
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70709312
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-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
2-methyl-6-{[(1R*,5R*)-6-propyl-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 72924757
2-methyl-6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98321906
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
2-methyl-6-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98373220
2-methyl-6-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 133127805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 98373219) is 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2ncc(C(=O)N3CCN(CC(C)C)C(=O)[C@@H]3C)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MOOFMCWTCITVAU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N6O3/c1-9(2)8-20-5-6-21(10(3)13(20)23)14(24)12-7-17-16-18-11(4)19-22(16)15(12)25/h7,9-10H,5-6,8H2,1-4H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.39 g/mol, XLogP of 0.05, 3 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-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).