3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide

C13H17N5OS — CID 166250311

IUPAC3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H17N5OS/c1-5-10-9(6-8(4)16-17-10)12(19)15-13-14-11(7(2)3)18-20-13/h6-7H,5H2,1-4H3,(H,14,15,18,19)
InChIKeyCADHBQJWGQRLKV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.57
Rot. Bonds4

About 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide

3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide (PubChem CID 166250311) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide
PubChem CID166250311
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H17N5OS/c1-5-10-9(6-8(4)16-17-10)12(19)15-13-14-11(7(2)3)18-20-13/h6-7H,5H2,1-4H3,(H,14,15,18,19)
InChIKeyCADHBQJWGQRLKV-UHFFFAOYSA-N
XLogP2.57
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide 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-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 104671780
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide (CID 166250311) is 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1nc(C(C)C)ns1.
What is the InChIKey of 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide?
The InChIKey is CADHBQJWGQRLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-5-10-9(6-8(4)16-17-10)12(19)15-13-14-11(7(2)3)18-20-13/h6-7H,5H2,1-4H3,(H,14,15,18,19).
What are the key properties of 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 166250311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).