3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one

C12H14N6O2 — CID 63607075

IUPAC3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2C)cnc2ncnn12
InChIInChI=1S/C12H14N6O2/c1-7-9(5-14-12-15-6-16-18(7)12)11(20)17-4-3-13-10(19)8(17)2/h5-6,8H,3-4H2,1-2H3,(H,13,19)
InChIKeyIQWXNCOGNANTNM-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.61
Rot. Bonds1

About 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one

3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one (PubChem CID 63607075) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
PubChem CID63607075
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2C)cnc2ncnn12
InChIInChI=1S/C12H14N6O2/c1-7-9(5-14-12-15-6-16-18(7)12)11(20)17-4-3-13-10(19)8(17)2/h5-6,8H,3-4H2,1-2H3,(H,13,19)
InChIKeyIQWXNCOGNANTNM-UHFFFAOYSA-N
XLogP-0.61
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
CID 115330862
(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 66264397
4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
CID 63596109
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43354172
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878
(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144021
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 63373884
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-acetyl-3-methylpiperazin-2-one
CID 13190467
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one (CID 63607075) is 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one is Cc1c(C(=O)N2CCNC(=O)C2C)cnc2ncnn12.
What is the InChIKey of 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one?
The InChIKey is IQWXNCOGNANTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-7-9(5-14-12-15-6-16-18(7)12)11(20)17-4-3-13-10(19)8(17)2/h5-6,8H,3-4H2,1-2H3,(H,13,19).
What are the key properties of 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one?
3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one has a molecular weight of 274.28 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 63607075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).