5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C17H16N6OS — CID 122691459

IUPAC5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccc4c(c3)=NCN=4)c(N)c2c1C
InChIInChI=1S/C17H16N6OS/c1-8-9(2)22-23-17-13(8)14(18)15(25-17)16(24)19-6-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7,18H2,1-2H3,(H,19,24)
InChIKeyKLRRNUZGMMXGJK-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.03
Rot. Bonds3

About 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122691459) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122691459
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccc4c(c3)=NCN=4)c(N)c2c1C
InChIInChI=1S/C17H16N6OS/c1-8-9(2)22-23-17-13(8)14(18)15(25-17)16(24)19-6-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7,18H2,1-2H3,(H,19,24)
InChIKeyKLRRNUZGMMXGJK-UHFFFAOYSA-N
XLogP1.03
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[[4-fluoro-3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 158177549
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-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691528
5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691471
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-[2-(4-ethenyl-5,6-dimethylpyridazin-3-yl)sulfanylethyl]-N-[(3-fluorophenyl)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 123886378
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874
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
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
CID 71735834

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 122691459) is 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NCc3ccc4c(c3)=NCN=4)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is KLRRNUZGMMXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-8-9(2)22-23-17-13(8)14(18)15(25-17)16(24)19-6-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7,18H2,1-2H3,(H,19,24).
What are the key properties of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122691459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).