7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H15N5O2 — CID 56921229

IUPAC7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1OC
InChIInChI=1S/C18H15N5O2/c1-24-15-4-3-13(11-16(15)25-2)14-7-10-20-18-21-17(22-23(14)18)12-5-8-19-9-6-12/h3-11H,1-2H3
InChIKeyZJMGKJPHNJQKGQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.87
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 56921229) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID56921229
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1OC
InChIInChI=1S/C18H15N5O2/c1-24-15-4-3-13(11-16(15)25-2)14-7-10-20-18-21-17(22-23(14)18)12-5-8-19-9-6-12/h3-11H,1-2H3
InChIKeyZJMGKJPHNJQKGQ-UHFFFAOYSA-N
XLogP2.87
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 56921229) is 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZJMGKJPHNJQKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-24-15-4-3-13(11-16(15)25-2)14-7-10-20-18-21-17(22-23(14)18)12-5-8-19-9-6-12/h3-11H,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 333.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56921229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).