1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

C12H15ClN6O — CID 103076133

IUPAC1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(C)c(Cl)nc3ncnn23)CC1
InChIInChI=1S/C12H15ClN6O/c1-8-10(13)16-12-14-7-15-19(12)11(8)18-5-3-17(4-6-18)9(2)20/h7H,3-6H2,1-2H3
InChIKeyWLTZOOWLLNUYTL-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.75
Rot. Bonds1

About 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (PubChem CID 103076133) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
PubChem CID103076133
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(C)c(Cl)nc3ncnn23)CC1
InChIInChI=1S/C12H15ClN6O/c1-8-10(13)16-12-14-7-15-19(12)11(8)18-5-3-17(4-6-18)9(2)20/h7H,3-6H2,1-2H3
InChIKeyWLTZOOWLLNUYTL-UHFFFAOYSA-N
XLogP0.75
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone (CID 103076133) is 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2c(C)c(Cl)nc3ncnn23)CC1.
What is the InChIKey of 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
The InChIKey is WLTZOOWLLNUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-8-10(13)16-12-14-7-15-19(12)11(8)18-5-3-17(4-6-18)9(2)20/h7H,3-6H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone?
1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone has a molecular weight of 294.75 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 103076133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).