N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine

C9H8ClN3O — CID 130611757

IUPACN-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine
SMILESC=C(Cl)CNc1nncc2ccoc12
InChIInChI=1S/C9H8ClN3O/c1-6(10)4-11-9-8-7(2-3-14-8)5-12-13-9/h2-3,5H,1,4H2,(H,11,13)
InChIKeyVRHITYCBDZQXGG-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.39
Rot. Bonds3

About N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine

N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine (PubChem CID 130611757) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine
PubChem CID130611757
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC NameN-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine
SMILESC=C(Cl)CNc1nncc2ccoc12
InChIInChI=1S/C9H8ClN3O/c1-6(10)4-11-9-8-7(2-3-14-8)5-12-13-9/h2-3,5H,1,4H2,(H,11,13)
InChIKeyVRHITYCBDZQXGG-UHFFFAOYSA-N
XLogP2.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine (CID 130611757) is N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine is C=C(Cl)CNc1nncc2ccoc12.
What is the InChIKey of N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine?
The InChIKey is VRHITYCBDZQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-6(10)4-11-9-8-7(2-3-14-8)5-12-13-9/h2-3,5H,1,4H2,(H,11,13).
What are the key properties of N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine?
N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine has a molecular weight of 209.64 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)furo[2,3-d]pyridazin-7-amine is sourced from PubChem (CID 130611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).