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

C22H21N3O — CID 162671984

IUPAC[4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4ccc(CO)cc4)n3c2)c1
InChIInChI=1S/C22H21N3O/c1-15(2)18-4-3-5-19(12-18)20-10-11-21-23-24-22(25(21)13-20)17-8-6-16(14-26)7-9-17/h3-13,15,26H,14H2,1-2H3
InChIKeyNXHVRWFRYBCRHX-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.68
Rot. Bonds4

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

[4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol (PubChem CID 162671984) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
PubChem CID162671984
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4ccc(CO)cc4)n3c2)c1
InChIInChI=1S/C22H21N3O/c1-15(2)18-4-3-5-19(12-18)20-10-11-21-23-24-22(25(21)13-20)17-8-6-16(14-26)7-9-17/h3-13,15,26H,14H2,1-2H3
InChIKeyNXHVRWFRYBCRHX-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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Related Compounds

[3-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
CID 162658713
3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162670461
3-(1H-indazol-6-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162655642
[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol
CID 71728747
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842
N,N-dimethyl-3-[4-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenoxy]propan-1-amine
CID 155551882
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 155539497
6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 177308311
4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155538959
3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162657325
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol (CID 162671984) is [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol is CC(C)c1cccc(-c2ccc3nnc(-c4ccc(CO)cc4)n3c2)c1.
What is the InChIKey of [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
The InChIKey is NXHVRWFRYBCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)18-4-3-5-19(12-18)20-10-11-21-23-24-22(25(21)13-20)17-8-6-16(14-26)7-9-17/h3-13,15,26H,14H2,1-2H3.
What are the key properties of [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol?
[4-[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 [4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 162671984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).