3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C21H20N4O — CID 162659890

IUPAC3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)cn1
InChIInChI=1S/C21H20N4O/c1-14(2)26-19-6-4-5-16(11-19)18-9-10-20-23-24-21(25(20)13-18)17-8-7-15(3)22-12-17/h4-14H,1-3H3
InChIKeyZARRUFRTGLGHMI-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.55
Rot. Bonds4

About 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162659890) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162659890
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)cn1
InChIInChI=1S/C21H20N4O/c1-14(2)26-19-6-4-5-16(11-19)18-9-10-20-23-24-21(25(20)13-18)17-8-7-15(3)22-12-17/h4-14H,1-3H3
InChIKeyZARRUFRTGLGHMI-UHFFFAOYSA-N
XLogP4.55
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162659890) is 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZARRUFRTGLGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14(2)26-19-6-4-5-16(11-19)18-9-10-20-23-24-21(25(20)13-18)17-8-7-15(3)22-12-17/h4-14H,1-3H3.
What are the key properties of 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 344.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).