4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol

C13H13N5O — CID 11219032

IUPAC4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESCc1nc2nnc(Cc3ccc(O)cc3)n2nc1C
InChIInChI=1S/C13H13N5O/c1-8-9(2)17-18-12(15-16-13(18)14-8)7-10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3
InChIKeyJOOVUYAJMKKDLG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.43
Rot. Bonds2

About 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol

4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (PubChem CID 11219032) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
PubChem CID11219032
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESCc1nc2nnc(Cc3ccc(O)cc3)n2nc1C
InChIInChI=1S/C13H13N5O/c1-8-9(2)17-18-12(15-16-13(18)14-8)7-10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3
InChIKeyJOOVUYAJMKKDLG-UHFFFAOYSA-N
XLogP1.43
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol with MolForge

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-(7-Amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)-phenol
CID 11219056
4-[1,2,4]Triazolo[4,3-b][1,2,4]triazin-3-ylmethyl-phenol
CID 11310709
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
Phenol, 4-(3-methyl-1,2,4-triazolo(4,3-b)(1,2,4)triazin-7-yl)-
CID 3070762
4-(7-Methyl-2,3-diphenyl-imidazo[1,2-b][1,2,4]triazin-6-yl)-phenol
CID 16682159
4-(7-Methyl-2,3-diphenylimidazo[1,2-b][1,2,4]triazin-6-yl)phenol
CID 568692
4-[(2-Ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol
CID 19784154
4-(7-Chloro-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)-phenol
CID 21919323
4-(7-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)-phenol
CID 21919325
4-(3-Amino-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenol
CID 136456370

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (CID 11219032) is 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is Cc1nc2nnc(Cc3ccc(O)cc3)n2nc1C.
What is the InChIKey of 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The InChIKey is JOOVUYAJMKKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-9(2)17-18-12(15-16-13(18)14-8)7-10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3.
What are the key properties of 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol has a molecular weight of 255.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is sourced from PubChem (CID 11219032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).