6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine

C14H19ClN4OS — CID 134149640

IUPAC6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine
SMILESCN(C)Cc1ccc(CSCCNc2ccc(Cl)nn2)o1
InChIInChI=1S/C14H19ClN4OS/c1-19(2)9-11-3-4-12(20-11)10-21-8-7-16-14-6-5-13(15)17-18-14/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyRRKVWPOGWSUACU-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.13
Rot. Bonds8

About 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine

6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine (PubChem CID 134149640) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine
PubChem CID134149640
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine
SMILESCN(C)Cc1ccc(CSCCNc2ccc(Cl)nn2)o1
InChIInChI=1S/C14H19ClN4OS/c1-19(2)9-11-3-4-12(20-11)10-21-8-7-16-14-6-5-13(15)17-18-14/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyRRKVWPOGWSUACU-UHFFFAOYSA-N
XLogP3.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine (CID 134149640) is 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine is CN(C)Cc1ccc(CSCCNc2ccc(Cl)nn2)o1.
What is the InChIKey of 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine?
The InChIKey is RRKVWPOGWSUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-19(2)9-11-3-4-12(20-11)10-21-8-7-16-14-6-5-13(15)17-18-14/h3-6H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine?
6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine has a molecular weight of 326.85 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridazin-3-amine is sourced from PubChem (CID 134149640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).