N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

C12H15N3 — CID 106895181

IUPACN-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1cccnn1
InChIInChI=1S/C12H15N3/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-15-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyAQBSRWTUYWCTBH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.53
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 106895181) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID106895181
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1cccnn1
InChIInChI=1S/C12H15N3/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-15-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyAQBSRWTUYWCTBH-UHFFFAOYSA-N
XLogP1.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 106895181) is N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is AQBSRWTUYWCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-15-10/h1-2,4-6,9,11-13H,3,7-8H2.
What are the key properties of N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 201.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 106895181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).