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

C12H12N6O — CID 11219056

IUPAC4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESCc1nn2c(Cc3ccc(O)cc3)nnc2nc1N
InChIInChI=1S/C12H12N6O/c1-7-11(13)14-12-16-15-10(18(12)17-7)6-8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H2,13,14,16)
InChIKeyKDBZYWNVPKBAMG-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.71
Rot. Bonds2

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

4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (PubChem CID 11219056) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
PubChem CID11219056
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESCc1nn2c(Cc3ccc(O)cc3)nnc2nc1N
InChIInChI=1S/C12H12N6O/c1-7-11(13)14-12-16-15-10(18(12)17-7)6-8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H2,13,14,16)
InChIKeyKDBZYWNVPKBAMG-UHFFFAOYSA-N
XLogP0.71
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(7-amino-6-methyl-[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-[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-Amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
CID 82556685
4-(6,7-Dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)-phenol
CID 11219032
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-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
CID 136312861
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-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (CID 11219056) is 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is Cc1nn2c(Cc3ccc(O)cc3)nnc2nc1N.
What is the InChIKey of 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The InChIKey is KDBZYWNVPKBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-11(13)14-12-16-15-10(18(12)17-7)6-8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H2,13,14,16).
What are the key properties of 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol has a molecular weight of 256.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is sourced from PubChem (CID 11219056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).