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

C14H14N4O — CID 753358

IUPAC2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C14H14N4O/c1-9-8-10(2)18-14(15-9)16-13(17-18)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3
InChIKeyRPELWPYFWNZHOL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.42
Rot. Bonds2

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

2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 753358) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID753358
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C14H14N4O/c1-9-8-10(2)18-14(15-9)16-13(17-18)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3
InChIKeyRPELWPYFWNZHOL-UHFFFAOYSA-N
XLogP2.42
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-561388
CID 9908904
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
Asp-6537
CID 9922739
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 753358) is 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RPELWPYFWNZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-8-10(2)18-14(15-9)16-13(17-18)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 254.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 753358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).