3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol

C15H11N5O — CID 155534768

IUPAC3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2nnc3ccc(-n4cccn4)cn23)c1
InChIInChI=1S/C15H11N5O/c21-13-4-1-3-11(9-13)15-18-17-14-6-5-12(10-19(14)15)20-8-2-7-16-20/h1-10,21H
InChIKeyJJPYDCOBDHUHFQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.29
Rot. Bonds2

About 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol

3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (PubChem CID 155534768) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
PubChem CID155534768
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2nnc3ccc(-n4cccn4)cn23)c1
InChIInChI=1S/C15H11N5O/c21-13-4-1-3-11(9-13)15-18-17-14-6-5-12(10-19(14)15)20-8-2-7-16-20/h1-10,21H
InChIKeyJJPYDCOBDHUHFQ-UHFFFAOYSA-N
XLogP2.29
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
4-(7-Amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11574885
4-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11661290
3-[7-(1-Methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889091
3-(4-(3,6-dihydro-2H-pyran-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156032
3-(1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156033

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The IUPAC name of 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (CID 155534768) is 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.
What is the SMILES notation for 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The canonical SMILES for 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is Oc1cccc(-c2nnc3ccc(-n4cccn4)cn23)c1.
What is the InChIKey of 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The InChIKey is JJPYDCOBDHUHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-13-4-1-3-11(9-13)15-18-17-14-6-5-12(10-19(14)15)20-8-2-7-16-20/h1-10,21H.
What are the key properties of 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol has a molecular weight of 277.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is sourced from PubChem (CID 155534768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).