7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H22N6O — CID 5307950

IUPAC7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1N1CCN(c2cc(C)nc3nc(C)nn23)CC1
InChIInChI=1S/C18H22N6O/c1-13-12-17(24-18(19-13)20-14(2)21-24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-3/h4-7,12H,8-11H2,1-3H3
InChIKeyKYQMIPBRFXHOAP-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.08
Rot. Bonds3

About 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 5307950) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID5307950
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1N1CCN(c2cc(C)nc3nc(C)nn23)CC1
InChIInChI=1S/C18H22N6O/c1-13-12-17(24-18(19-13)20-14(2)21-24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-3/h4-7,12H,8-11H2,1-3H3
InChIKeyKYQMIPBRFXHOAP-UHFFFAOYSA-N
XLogP2.08
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 5307950) is 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccccc1N1CCN(c2cc(C)nc3nc(C)nn23)CC1.
What is the InChIKey of 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KYQMIPBRFXHOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-12-17(24-18(19-13)20-14(2)21-24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5307950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).