[1,2,4]triazolo[1,5-b][1,2,4]triazine

C4H3N5 — CID 13163406

IUPAC[1,2,4]triazolo[1,5-b][1,2,4]triazine
SMILESc1cnn2ncnc2n1
InChIInChI=1S/C4H3N5/c1-2-7-9-4(5-1)6-3-8-9/h1-3H
InChIKeyZQWVESUJCZXNAU-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.48
Rot. Bonds

About [1,2,4]triazolo[1,5-b][1,2,4]triazine

[1,2,4]triazolo[1,5-b][1,2,4]triazine (PubChem CID 13163406) has the molecular formula C4H3N5 and a molecular weight of 121.10 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-b][1,2,4]triazine.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-b][1,2,4]triazine
PubChem CID13163406
Molecular FormulaC4H3N5
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name[1,2,4]triazolo[1,5-b][1,2,4]triazine
SMILESc1cnn2ncnc2n1
InChIInChI=1S/C4H3N5/c1-2-7-9-4(5-1)6-3-8-9/h1-3H
InChIKeyZQWVESUJCZXNAU-UHFFFAOYSA-N
XLogP-0.48
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-b][1,2,4]triazine?
The IUPAC name of [1,2,4]triazolo[1,5-b][1,2,4]triazine (CID 13163406) is [1,2,4]triazolo[1,5-b][1,2,4]triazine.
What is the SMILES notation for [1,2,4]triazolo[1,5-b][1,2,4]triazine?
The canonical SMILES for [1,2,4]triazolo[1,5-b][1,2,4]triazine is c1cnn2ncnc2n1.
What is the InChIKey of [1,2,4]triazolo[1,5-b][1,2,4]triazine?
The InChIKey is ZQWVESUJCZXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5/c1-2-7-9-4(5-1)6-3-8-9/h1-3H.
What are the key properties of [1,2,4]triazolo[1,5-b][1,2,4]triazine?
[1,2,4]triazolo[1,5-b][1,2,4]triazine has a molecular weight of 121.10 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-b][1,2,4]triazine is sourced from PubChem (CID 13163406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).