1,6,7,8-tetrahydropyrazolo[5,4-b]azepine

C7H9N3 — CID 136634634

IUPAC1,6,7,8-tetrahydropyrazolo[5,4-b]azepine
SMILESC1=Cc2cn[nH]c2NCC1
InChIInChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)5-9-10-7/h1,3,5H,2,4H2,(H2,8,9,10)
InChIKeyWLGITPZXYKCXNA-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.24
Rot. Bonds

About 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine

1,6,7,8-tetrahydropyrazolo[5,4-b]azepine (PubChem CID 136634634) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine.

Molecular Properties

Compound Name1,6,7,8-tetrahydropyrazolo[5,4-b]azepine
PubChem CID136634634
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,6,7,8-tetrahydropyrazolo[5,4-b]azepine
SMILESC1=Cc2cn[nH]c2NCC1
InChIInChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)5-9-10-7/h1,3,5H,2,4H2,(H2,8,9,10)
InChIKeyWLGITPZXYKCXNA-UHFFFAOYSA-N
XLogP1.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine?
The IUPAC name of 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine (CID 136634634) is 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine.
What is the SMILES notation for 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine?
The canonical SMILES for 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine is C1=Cc2cn[nH]c2NCC1.
What is the InChIKey of 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine?
The InChIKey is WLGITPZXYKCXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)5-9-10-7/h1,3,5H,2,4H2,(H2,8,9,10).
What are the key properties of 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine?
1,6,7,8-tetrahydropyrazolo[5,4-b]azepine has a molecular weight of 135.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8-tetrahydropyrazolo[5,4-b]azepine is sourced from PubChem (CID 136634634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).