5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide

C15H19N5OS — CID 123292573

IUPAC5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILES[H]/N=C/C/C=C\CN(C)C(=O)c1sc2nnc(C)c(C)c2c1N
InChIInChI=1S/C15H19N5OS/c1-9-10(2)18-19-14-11(9)12(17)13(22-14)15(21)20(3)8-6-4-5-7-16/h4,6-7,16H,5,8,17H2,1-3H3/b6-4-,16-7+
InChIKeyJWXQUGVNMUALIM-LRPNAGJPSA-N
MW317.42 g/mol
LogP2.56
Rot. Bonds5

About 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 123292573) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID123292573
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILES[H]/N=C/C/C=C\CN(C)C(=O)c1sc2nnc(C)c(C)c2c1N
InChIInChI=1S/C15H19N5OS/c1-9-10(2)18-19-14-11(9)12(17)13(22-14)15(21)20(3)8-6-4-5-7-16/h4,6-7,16H,5,8,17H2,1-3H3/b6-4-,16-7+
InChIKeyJWXQUGVNMUALIM-LRPNAGJPSA-N
XLogP2.56
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 115988062
5-amino-N',N',3,4-tetramethylthieno[2,3-c]pyridazine-6-carbohydrazide
CID 83025023
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 115366292
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone
CID 155539719
5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691459
[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-phenylmethanone
CID 123705063
5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691524
5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691471
5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691516
5-amino-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691528
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 160823722

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 123292573) is 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide is [H]/N=C/C/C=C\CN(C)C(=O)c1sc2nnc(C)c(C)c2c1N.
What is the InChIKey of 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is JWXQUGVNMUALIM-LRPNAGJPSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-9-10(2)18-19-14-11(9)12(17)13(22-14)15(21)20(3)8-6-4-5-7-16/h4,6-7,16H,5,8,17H2,1-3H3/b6-4-,16-7+.
What are the key properties of 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(Z)-5-iminopent-2-enyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 123292573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).