6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine

C11H12ClN3S — CID 104877579

IUPAC6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
SMILESCCc1ccc(CNc2ccc(Cl)nn2)s1
InChIInChI=1S/C11H12ClN3S/c1-2-8-3-4-9(16-8)7-13-11-6-5-10(12)14-15-11/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyGTNYTCNORNPRGZ-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.37
Rot. Bonds4

About 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine

6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine (PubChem CID 104877579) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
PubChem CID104877579
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
SMILESCCc1ccc(CNc2ccc(Cl)nn2)s1
InChIInChI=1S/C11H12ClN3S/c1-2-8-3-4-9(16-8)7-13-11-6-5-10(12)14-15-11/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyGTNYTCNORNPRGZ-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine (CID 104877579) is 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine is CCc1ccc(CNc2ccc(Cl)nn2)s1.
What is the InChIKey of 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine?
The InChIKey is GTNYTCNORNPRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-2-8-3-4-9(16-8)7-13-11-6-5-10(12)14-15-11/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine?
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine has a molecular weight of 253.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 104877579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).