bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone

C20H23N5O — CID 70508225

IUPACbicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
SMILESC1CC2=C(C1)C2.NNc1cc2c(nn1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C14H15N5O.C6H8/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10;1-2-5-4-6(5)3-1/h1-5,8H,6-7,9,15H2,(H,16,18);1-4H2
InChIKeyOFXLPNKXOIFASG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.83
Rot. Bonds2

About bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone

bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone (PubChem CID 70508225) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone.

Molecular Properties

Compound Namebicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
PubChem CID70508225
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Namebicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
SMILESC1CC2=C(C1)C2.NNc1cc2c(nn1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C14H15N5O.C6H8/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10;1-2-5-4-6(5)3-1/h1-5,8H,6-7,9,15H2,(H,16,18);1-4H2
InChIKeyOFXLPNKXOIFASG-UHFFFAOYSA-N
XLogP2.83
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone?
The IUPAC name of bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone (CID 70508225) is bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone.
What is the SMILES notation for bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone?
The canonical SMILES for bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone is C1CC2=C(C1)C2.NNc1cc2c(nn1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone?
The InChIKey is OFXLPNKXOIFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C6H8/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10;1-2-5-4-6(5)3-1/h1-5,8H,6-7,9,15H2,(H,16,18);1-4H2.
What are the key properties of bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone?
bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone has a molecular weight of 349.44 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hex-1(5)-ene;(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone is sourced from PubChem (CID 70508225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).