6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine

C18H12N6O — CID 70798433

IUPAC6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(-c3ccc4nnc(-c5ccncc5)n4c3)cc2o1
InChIInChI=1S/C18H12N6O/c19-18-21-14-3-1-12(9-15(14)25-18)13-2-4-16-22-23-17(24(16)10-13)11-5-7-20-8-6-11/h1-10H,(H2,19,21)
InChIKeyDJVXSSBUMXWRAV-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.18
Rot. Bonds2

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

6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 70798433) has the molecular formula C18H12N6O and a molecular weight of 328.34 g/mol. Its IUPAC name is 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID70798433
Molecular FormulaC18H12N6O
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(-c3ccc4nnc(-c5ccncc5)n4c3)cc2o1
InChIInChI=1S/C18H12N6O/c19-18-21-14-3-1-12(9-15(14)25-18)13-2-4-16-22-23-17(24(16)10-13)11-5-7-20-8-6-11/h1-10H,(H2,19,21)
InChIKeyDJVXSSBUMXWRAV-UHFFFAOYSA-N
XLogP3.18
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine (CID 70798433) is 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2ccc(-c3ccc4nnc(-c5ccncc5)n4c3)cc2o1.
What is the InChIKey of 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is DJVXSSBUMXWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O/c19-18-21-14-3-1-12(9-15(14)25-18)13-2-4-16-22-23-17(24(16)10-13)11-5-7-20-8-6-11/h1-10H,(H2,19,21).
What are the key properties of 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine?
6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 328.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).