3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine

C15H16N4O2 — CID 42631949

IUPAC3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1ccc(OC)c(-c2nnc3cc(C)nc(C)n23)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-14-17-18-15(19(14)10(2)16-9)12-8-11(20-3)5-6-13(12)21-4/h5-8H,1-4H3
InChIKeyVVIIYARPLOXWOK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.43
Rot. Bonds3

About 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine

3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 42631949) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID42631949
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1ccc(OC)c(-c2nnc3cc(C)nc(C)n23)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-14-17-18-15(19(14)10(2)16-9)12-8-11(20-3)5-6-13(12)21-4/h5-8H,1-4H3
InChIKeyVVIIYARPLOXWOK-UHFFFAOYSA-N
XLogP2.43
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 42631949) is 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine is COc1ccc(OC)c(-c2nnc3cc(C)nc(C)n23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is VVIIYARPLOXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-14-17-18-15(19(14)10(2)16-9)12-8-11(20-3)5-6-13(12)21-4/h5-8H,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 284.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 42631949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).