[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C18H19ClN6O — CID 120738157

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCNCC3c3ccccc3Cl)nc2n1
InChIInChI=1S/C18H19ClN6O/c1-11-9-12(2)25-18(21-11)22-16(23-25)17(26)24-8-7-20-10-15(24)13-5-3-4-6-14(13)19/h3-6,9,15,20H,7-8,10H2,1-2H3
InChIKeyOIYFHJIOOZZGSK-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.18
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 120738157) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID120738157
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCNCC3c3ccccc3Cl)nc2n1
InChIInChI=1S/C18H19ClN6O/c1-11-9-12(2)25-18(21-11)22-16(23-25)17(26)24-8-7-20-10-15(24)13-5-3-4-6-14(13)19/h3-6,9,15,20H,7-8,10H2,1-2H3
InChIKeyOIYFHJIOOZZGSK-UHFFFAOYSA-N
XLogP2.18
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 120739824
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 120739904
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 99878683
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32845370
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333698
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 120738157) is [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCNCC3c3ccccc3Cl)nc2n1.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is OIYFHJIOOZZGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-11-9-12(2)25-18(21-11)22-16(23-25)17(26)24-8-7-20-10-15(24)13-5-3-4-6-14(13)19/h3-6,9,15,20H,7-8,10H2,1-2H3.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 370.84 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 120738157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).