4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one

C13H17ClN6O — CID 103076796

IUPAC4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one
SMILESCc1c(Cl)nc2ncnn2c1N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C13H17ClN6O/c1-8-9(14)17-12-15-7-16-20(12)10(8)19-6-5-18(4)11(21)13(19,2)3/h7H,5-6H2,1-4H3
InChIKeyFXTBFHJCVQROKK-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.14
Rot. Bonds1

About 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one

4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one (PubChem CID 103076796) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one
PubChem CID103076796
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one
SMILESCc1c(Cl)nc2ncnn2c1N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C13H17ClN6O/c1-8-9(14)17-12-15-7-16-20(12)10(8)19-6-5-18(4)11(21)13(19,2)3/h7H,5-6H2,1-4H3
InChIKeyFXTBFHJCVQROKK-UHFFFAOYSA-N
XLogP1.14
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
5-chloro-6-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076644
1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 103076133
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazepane
CID 103076328
5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077017
5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076979
6-chloro-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6501354
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076662
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
CID 103076332

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one (CID 103076796) is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one is Cc1c(Cl)nc2ncnn2c1N1CCN(C)C(=O)C1(C)C.
What is the InChIKey of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one?
The InChIKey is FXTBFHJCVQROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-8-9(14)17-12-15-7-16-20(12)10(8)19-6-5-18(4)11(21)13(19,2)3/h7H,5-6H2,1-4H3.
What are the key properties of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one?
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one has a molecular weight of 308.77 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 103076796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).