(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine

C12H15N3S — CID 105154023

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
SMILESCCc1nnc(C)cc1C(N)c1ccsc1
InChIInChI=1S/C12H15N3S/c1-3-11-10(6-8(2)14-15-11)12(13)9-4-5-16-7-9/h4-7,12H,3,13H2,1-2H3
InChIKeyJIIVHDUFVOVJMM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.46
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine

(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine (PubChem CID 105154023) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
PubChem CID105154023
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
SMILESCCc1nnc(C)cc1C(N)c1ccsc1
InChIInChI=1S/C12H15N3S/c1-3-11-10(6-8(2)14-15-11)12(13)9-4-5-16-7-9/h4-7,12H,3,13H2,1-2H3
InChIKeyJIIVHDUFVOVJMM-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105173448
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine (CID 105154023) is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine is CCc1nnc(C)cc1C(N)c1ccsc1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine?
The InChIKey is JIIVHDUFVOVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-11-10(6-8(2)14-15-11)12(13)9-4-5-16-7-9/h4-7,12H,3,13H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine?
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 105154023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).