6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine

C12H13Cl2N3S — CID 106038485

IUPAC6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCc2ccc(Cl)s2)c1C
InChIInChI=1S/C12H13Cl2N3S/c1-7-8(2)12(17-16-11(7)14)15-6-5-9-3-4-10(13)18-9/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyYABVBOPYLCIFBY-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.12
Rot. Bonds4

About 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 106038485) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
PubChem CID106038485
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCc2ccc(Cl)s2)c1C
InChIInChI=1S/C12H13Cl2N3S/c1-7-8(2)12(17-16-11(7)14)15-6-5-9-3-4-10(13)18-9/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyYABVBOPYLCIFBY-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-Chlorothiophen-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31536222
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 81836816
N-[(5-chlorothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 81837038
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103879887
6-chloro-N-(2-(thiophen-2-yl)ethyl)pyridazin-3-amine
CID 40509863
6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91437750
6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride
CID 169287863
6-chloro-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 33676308
3-[(5-Chlorothiophen-2-yl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 34010371
6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 43396698
6-chloro-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 43401140
3-[1-(5-Chlorothiophen-2-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47170519

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine (CID 106038485) is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(NCCc2ccc(Cl)s2)c1C.
What is the InChIKey of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is YABVBOPYLCIFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-7-8(2)12(17-16-11(7)14)15-6-5-9-3-4-10(13)18-9/h3-4H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 302.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 106038485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).