7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one

C10H7N5O — CID 6410671

IUPAC7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one
SMILESO=c1[nH]nc2nc(-c3ccccc3)cnn12
InChIInChI=1S/C10H7N5O/c16-10-14-13-9-12-8(6-11-15(9)10)7-4-2-1-3-5-7/h1-6H,(H,14,16)
InChIKeySDDMAWPFOSFTTC-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.48
Rot. Bonds1

About 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one

7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one (PubChem CID 6410671) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one.

Molecular Properties

Compound Name7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one
PubChem CID6410671
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one
SMILESO=c1[nH]nc2nc(-c3ccccc3)cnn12
InChIInChI=1S/C10H7N5O/c16-10-14-13-9-12-8(6-11-15(9)10)7-4-2-1-3-5-7/h1-6H,(H,14,16)
InChIKeySDDMAWPFOSFTTC-UHFFFAOYSA-N
XLogP0.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one?
The IUPAC name of 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one (CID 6410671) is 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one.
What is the SMILES notation for 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one?
The canonical SMILES for 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one is O=c1[nH]nc2nc(-c3ccccc3)cnn12.
What is the InChIKey of 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one?
The InChIKey is SDDMAWPFOSFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-14-13-9-12-8(6-11-15(9)10)7-4-2-1-3-5-7/h1-6H,(H,14,16).
What are the key properties of 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one?
7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one has a molecular weight of 213.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one is sourced from PubChem (CID 6410671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).