(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C12H14ClN3S — CID 105173448

IUPAC(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-3-9-8(6-7(2)15-16-9)12(14)10-4-5-11(13)17-10/h4-6,12H,3,14H2,1-2H3
InChIKeyDHJIZMYUBYJVNK-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.11
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105173448) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105173448
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-3-9-8(6-7(2)15-16-9)12(14)10-4-5-11(13)17-10/h4-6,12H,3,14H2,1-2H3
InChIKeyDHJIZMYUBYJVNK-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105173432
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 62276867
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpentan-1-amine
CID 107894057
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(4-iodophenyl)ethanamine
CID 105151946

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105173448) is (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is DHJIZMYUBYJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-9-8(6-7(2)15-16-9)12(14)10-4-5-11(13)17-10/h4-6,12H,3,14H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 267.79 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105173448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).