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

C11H9N5O — CID 3070762

IUPAC4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol
SMILESCc1nnc2nc(-c3ccc(O)cc3)cnn12
InChIInChI=1S/C11H9N5O/c1-7-14-15-11-13-10(6-12-16(7)11)8-2-4-9(17)5-3-8/h2-6,17H,1H3
InChIKeyRVBAUYQQABCZNO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.20
Rot. Bonds1

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

4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol (PubChem CID 3070762) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol
PubChem CID3070762
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol
SMILESCc1nnc2nc(-c3ccc(O)cc3)cnn12
InChIInChI=1S/C11H9N5O/c1-7-14-15-11-13-10(6-12-16(7)11)8-2-4-9(17)5-3-8/h2-6,17H,1H3
InChIKeyRVBAUYQQABCZNO-UHFFFAOYSA-N
XLogP1.20
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol?
The IUPAC name of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol (CID 3070762) is 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol.
What is the SMILES notation for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol?
The canonical SMILES for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol is Cc1nnc2nc(-c3ccc(O)cc3)cnn12.
What is the InChIKey of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol?
The InChIKey is RVBAUYQQABCZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-14-15-11-13-10(6-12-16(7)11)8-2-4-9(17)5-3-8/h2-6,17H,1H3.
What are the key properties of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol?
4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol has a molecular weight of 227.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol is sourced from PubChem (CID 3070762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).