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

C14H10N6O — CID 155548302

IUPAC3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4cn[nH]n4)cn23)c1
InChIInChI=1S/C14H10N6O/c21-11-3-1-2-9(6-11)14-18-17-13-5-4-10(8-20(13)14)12-7-15-19-16-12/h1-8,21H,(H,15,16,19)
InChIKeyBJBDZAKRZGBAOR-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.89
Rot. Bonds2

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

3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155548302) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155548302
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4cn[nH]n4)cn23)c1
InChIInChI=1S/C14H10N6O/c21-11-3-1-2-9(6-11)14-18-17-13-5-4-10(8-20(13)14)12-7-15-19-16-12/h1-8,21H,(H,15,16,19)
InChIKeyBJBDZAKRZGBAOR-UHFFFAOYSA-N
XLogP1.89
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-((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
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
4-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]phenol
CID 46176285
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
3-(6-(Methylamino)imidazo[1,2-b]pyridazin-3-yl)phenol
CID 52944340
US9884868, Example 248''
CID 136215328
3-[(9-Benzyl-9H-purin-6-yl)-hydrazonomethyl]-phenol
CID 9685258

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155548302) is 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Oc1cccc(-c2nnc3ccc(-c4cn[nH]n4)cn23)c1.
What is the InChIKey of 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is BJBDZAKRZGBAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c21-11-3-1-2-9(6-11)14-18-17-13-5-4-10(8-20(13)14)12-7-15-19-16-12/h1-8,21H,(H,15,16,19).
What are the key properties of 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 278.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155548302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).