[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol

C22H21N3O — CID 162658713

IUPAC[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4cccc(CO)c4)n3c2)c1
InChIInChI=1S/C22H21N3O/c1-15(2)17-6-4-7-18(12-17)20-9-10-21-23-24-22(25(21)13-20)19-8-3-5-16(11-19)14-26/h3-13,15,26H,14H2,1-2H3
InChIKeyYLEMIUIWNSFVPT-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.68
Rot. Bonds4

About [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol

[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol (PubChem CID 162658713) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
PubChem CID162658713
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4cccc(CO)c4)n3c2)c1
InChIInChI=1S/C22H21N3O/c1-15(2)17-6-4-7-18(12-17)20-9-10-21-23-24-22(25(21)13-20)19-8-3-5-16(11-19)14-26/h3-13,15,26H,14H2,1-2H3
InChIKeyYLEMIUIWNSFVPT-UHFFFAOYSA-N
XLogP4.68
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol (CID 162658713) is [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol is CC(C)c1cccc(-c2ccc3nnc(-c4cccc(CO)c4)n3c2)c1.
What is the InChIKey of [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The InChIKey is YLEMIUIWNSFVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)17-6-4-7-18(12-17)20-9-10-21-23-24-22(25(21)13-20)19-8-3-5-16(11-19)14-26/h3-13,15,26H,14H2,1-2H3.
What are the key properties of [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol has a molecular weight of 343.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 162658713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).