6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine

C12H14ClN3S — CID 63271585

IUPAC6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCc2cccs2)c1C
InChIInChI=1S/C12H14ClN3S/c1-8-9(2)12(16-15-11(8)13)14-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyRTYWOPJQRJCQTL-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine (PubChem CID 63271585) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
PubChem CID63271585
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCc2cccs2)c1C
InChIInChI=1S/C12H14ClN3S/c1-8-9(2)12(16-15-11(8)13)14-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyRTYWOPJQRJCQTL-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
CID 81036300
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
CID 106195870
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine (CID 63271585) is 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCCc2cccs2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The InChIKey is RTYWOPJQRJCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-9(2)12(16-15-11(8)13)14-6-5-10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine has a molecular weight of 267.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 63271585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).