3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide

C12H15N5S — CID 80513495

IUPAC3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CC)Cc1cccs1
InChIInChI=1S/C12H15N5S/c1-2-17(8-9-4-3-7-18-9)12-10(11(13)14)5-6-15-16-12/h3-7H,2,8H2,1H3,(H3,13,14)
InChIKeyUYBSYNJQVBCHLA-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.85
Rot. Bonds5

About 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide

3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513495) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
PubChem CID80513495
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CC)Cc1cccs1
InChIInChI=1S/C12H15N5S/c1-2-17(8-9-4-3-7-18-9)12-10(11(13)14)5-6-15-16-12/h3-7H,2,8H2,1H3,(H3,13,14)
InChIKeyUYBSYNJQVBCHLA-UHFFFAOYSA-N
XLogP1.85
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
CID 63883954
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide (CID 80513495) is 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(CC)Cc1cccs1.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide?
The InChIKey is UYBSYNJQVBCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-2-17(8-9-4-3-7-18-9)12-10(11(13)14)5-6-15-16-12/h3-7H,2,8H2,1H3,(H3,13,14).
What are the key properties of 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide?
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).