1,6-dihydropyrazolo[5,4-b]azepine;ethane

C9H13N3 — CID 142271294

IUPAC1,6-dihydropyrazolo[5,4-b]azepine;ethane
SMILESC1=Cc2cn[nH]c2N=CC1.CC
InChIInChI=1S/C7H7N3.C2H6/c1-2-4-8-7-6(3-1)5-9-10-7;1-2/h1,3-5H,2H2,(H,9,10);1-2H3
InChIKeyHPJUQOXRDDILNJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.56
Rot. Bonds

About 1,6-dihydropyrazolo[5,4-b]azepine;ethane

1,6-dihydropyrazolo[5,4-b]azepine;ethane (PubChem CID 142271294) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[5,4-b]azepine;ethane.

Molecular Properties

Compound Name1,6-dihydropyrazolo[5,4-b]azepine;ethane
PubChem CID142271294
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,6-dihydropyrazolo[5,4-b]azepine;ethane
SMILESC1=Cc2cn[nH]c2N=CC1.CC
InChIInChI=1S/C7H7N3.C2H6/c1-2-4-8-7-6(3-1)5-9-10-7;1-2/h1,3-5H,2H2,(H,9,10);1-2H3
InChIKeyHPJUQOXRDDILNJ-UHFFFAOYSA-N
XLogP2.56
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[5,4-b]azepine;ethane?
The IUPAC name of 1,6-dihydropyrazolo[5,4-b]azepine;ethane (CID 142271294) is 1,6-dihydropyrazolo[5,4-b]azepine;ethane.
What is the SMILES notation for 1,6-dihydropyrazolo[5,4-b]azepine;ethane?
The canonical SMILES for 1,6-dihydropyrazolo[5,4-b]azepine;ethane is C1=Cc2cn[nH]c2N=CC1.CC.
What is the InChIKey of 1,6-dihydropyrazolo[5,4-b]azepine;ethane?
The InChIKey is HPJUQOXRDDILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-2-4-8-7-6(3-1)5-9-10-7;1-2/h1,3-5H,2H2,(H,9,10);1-2H3.
What are the key properties of 1,6-dihydropyrazolo[5,4-b]azepine;ethane?
1,6-dihydropyrazolo[5,4-b]azepine;ethane has a molecular weight of 163.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[5,4-b]azepine;ethane is sourced from PubChem (CID 142271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).