4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one

C15H22N6O — CID 91650220

IUPAC4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one
SMILESCc1nc2ncnn2c(N2CCN(CC(C)C)C(=O)C2)c1C
InChIInChI=1S/C15H22N6O/c1-10(2)7-19-5-6-20(8-13(19)22)14-11(3)12(4)18-15-16-9-17-21(14)15/h9-10H,5-8H2,1-4H3
InChIKeyBIXQORLZXVOOBL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.05
Rot. Bonds3

About 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one

4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one (PubChem CID 91650220) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one
PubChem CID91650220
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one
SMILESCc1nc2ncnn2c(N2CCN(CC(C)C)C(=O)C2)c1C
InChIInChI=1S/C15H22N6O/c1-10(2)7-19-5-6-20(8-13(19)22)14-11(3)12(4)18-15-16-9-17-21(14)15/h9-10H,5-8H2,1-4H3
InChIKeyBIXQORLZXVOOBL-UHFFFAOYSA-N
XLogP1.05
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one with MolForge

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Related Compounds

N-[1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70707695
2-[Methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18100815
4-{5,6-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017021
1-{6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}-4-methylpiperazine
CID 53017040
8-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70731533
1-butyl-4-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-piperazinone
CID 70757842
1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70765313
Ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate
CID 75391336
1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-5-one
CID 75421993
1-[(3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-5-fluoropiperidin-1-yl]prop-2-en-1-one
CID 126677465
1-[(5R)-3-fluoro-5-[3-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130291104
N-(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-diethylamine
CID 53017020

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one (CID 91650220) is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one is Cc1nc2ncnn2c(N2CCN(CC(C)C)C(=O)C2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is BIXQORLZXVOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)7-19-5-6-20(8-13(19)22)14-11(3)12(4)18-15-16-9-17-21(14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one?
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 91650220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).