5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

C6H6N4 — CID 154213152

IUPAC5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESC1=Cc2nncn2CC=N1
InChIInChI=1S/C6H6N4/c1-2-7-3-4-10-5-8-9-6(1)10/h1-3,5H,4H2
InChIKeyQQOMNJVNOBLLPI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.33
Rot. Bonds

About 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

5H-[1,2,4]triazolo[4,3-d][1,4]diazepine (PubChem CID 154213152) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
PubChem CID154213152
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESC1=Cc2nncn2CC=N1
InChIInChI=1S/C6H6N4/c1-2-7-3-4-10-5-8-9-6(1)10/h1-3,5H,4H2
InChIKeyQQOMNJVNOBLLPI-UHFFFAOYSA-N
XLogP0.33
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The IUPAC name of 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine (CID 154213152) is 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine.
What is the SMILES notation for 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The canonical SMILES for 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine is C1=Cc2nncn2CC=N1.
What is the InChIKey of 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The InChIKey is QQOMNJVNOBLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-7-3-4-10-5-8-9-6(1)10/h1-3,5H,4H2.
What are the key properties of 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine?
5H-[1,2,4]triazolo[4,3-d][1,4]diazepine has a molecular weight of 134.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,2,4]triazolo[4,3-d][1,4]diazepine is sourced from PubChem (CID 154213152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).