6H-triazolo[5,1-d][1,2,5]triazepine

C5H5N5 — CID 137182489

IUPAC6H-triazolo[5,1-d][1,2,5]triazepine
SMILESC1=Cn2nncc2C=NN1
InChIInChI=1S/C5H5N5/c1-2-10-5(3-7-6-1)4-8-9-10/h1-4,6H
InChIKeyNZFKPGTYNNTLIB-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.36
Rot. Bonds

About 6H-triazolo[5,1-d][1,2,5]triazepine

6H-triazolo[5,1-d][1,2,5]triazepine (PubChem CID 137182489) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 6H-triazolo[5,1-d][1,2,5]triazepine.

Molecular Properties

Compound Name6H-triazolo[5,1-d][1,2,5]triazepine
PubChem CID137182489
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name6H-triazolo[5,1-d][1,2,5]triazepine
SMILESC1=Cn2nncc2C=NN1
InChIInChI=1S/C5H5N5/c1-2-10-5(3-7-6-1)4-8-9-10/h1-4,6H
InChIKeyNZFKPGTYNNTLIB-UHFFFAOYSA-N
XLogP-0.36
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6H-triazolo[5,1-d][1,2,5]triazepine?
The IUPAC name of 6H-triazolo[5,1-d][1,2,5]triazepine (CID 137182489) is 6H-triazolo[5,1-d][1,2,5]triazepine.
What is the SMILES notation for 6H-triazolo[5,1-d][1,2,5]triazepine?
The canonical SMILES for 6H-triazolo[5,1-d][1,2,5]triazepine is C1=Cn2nncc2C=NN1.
What is the InChIKey of 6H-triazolo[5,1-d][1,2,5]triazepine?
The InChIKey is NZFKPGTYNNTLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-2-10-5(3-7-6-1)4-8-9-10/h1-4,6H.
What are the key properties of 6H-triazolo[5,1-d][1,2,5]triazepine?
6H-triazolo[5,1-d][1,2,5]triazepine has a molecular weight of 135.13 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-triazolo[5,1-d][1,2,5]triazepine is sourced from PubChem (CID 137182489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).