ethane;8H-pyridazino[4,3-b]azepine

C10H13N3 — CID 143248602

IUPACethane;8H-pyridazino[4,3-b]azepine
SMILESC1=CN=c2ccnnc2=CC1.CC
InChIInChI=1S/C8H7N3.C2H6/c1-2-5-9-7-4-6-10-11-8(7)3-1;1-2/h2-6H,1H2;1-2H3
InChIKeyJSVUFQCXTOMDJX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.82
Rot. Bonds

About ethane;8H-pyridazino[4,3-b]azepine

ethane;8H-pyridazino[4,3-b]azepine (PubChem CID 143248602) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;8H-pyridazino[4,3-b]azepine.

Molecular Properties

Compound Nameethane;8H-pyridazino[4,3-b]azepine
PubChem CID143248602
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Nameethane;8H-pyridazino[4,3-b]azepine
SMILESC1=CN=c2ccnnc2=CC1.CC
InChIInChI=1S/C8H7N3.C2H6/c1-2-5-9-7-4-6-10-11-8(7)3-1;1-2/h2-6H,1H2;1-2H3
InChIKeyJSVUFQCXTOMDJX-UHFFFAOYSA-N
XLogP0.82
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8H-pyridazino[4,3-b]azepine?
The IUPAC name of ethane;8H-pyridazino[4,3-b]azepine (CID 143248602) is ethane;8H-pyridazino[4,3-b]azepine.
What is the SMILES notation for ethane;8H-pyridazino[4,3-b]azepine?
The canonical SMILES for ethane;8H-pyridazino[4,3-b]azepine is C1=CN=c2ccnnc2=CC1.CC.
What is the InChIKey of ethane;8H-pyridazino[4,3-b]azepine?
The InChIKey is JSVUFQCXTOMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2H6/c1-2-5-9-7-4-6-10-11-8(7)3-1;1-2/h2-6H,1H2;1-2H3.
What are the key properties of ethane;8H-pyridazino[4,3-b]azepine?
ethane;8H-pyridazino[4,3-b]azepine has a molecular weight of 175.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8H-pyridazino[4,3-b]azepine is sourced from PubChem (CID 143248602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).