2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

C21H20N4O — CID 71453547

IUPAC2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESCc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C21H20N4O/c1-13-6-4-5-7-18(13)22-21-23-19-9-8-16(12-25(19)24-21)17-10-14(2)20(26)15(3)11-17/h4-12,26H,1-3H3,(H,22,24)
InChIKeyCYMPDYIXOHNZGG-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.77
Rot. Bonds3

About 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (PubChem CID 71453547) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
PubChem CID71453547
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESCc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C21H20N4O/c1-13-6-4-5-7-18(13)22-21-23-19-9-8-16(12-25(19)24-21)17-10-14(2)20(26)15(3)11-17/h4-12,26H,1-3H3,(H,22,24)
InChIKeyCYMPDYIXOHNZGG-UHFFFAOYSA-N
XLogP4.77
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (CID 71453547) is 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is Cc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The InChIKey is CYMPDYIXOHNZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-6-4-5-7-18(13)22-21-23-19-9-8-16(12-25(19)24-21)17-10-14(2)20(26)15(3)11-17/h4-12,26H,1-3H3,(H,22,24).
What are the key properties of 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is sourced from PubChem (CID 71453547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).