5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide

C15H20N4OS — CID 80517353

IUPAC5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCC(NC(=O)c2sc3nnccc3c2N)CC1C
InChIInChI=1S/C15H20N4OS/c1-8-3-4-10(7-9(8)2)18-14(20)13-12(16)11-5-6-17-19-15(11)21-13/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,18,20)
InChIKeyXBFYCWWADSKCLC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.83
Rot. Bonds2

About 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80517353) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80517353
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCC1CCC(NC(=O)c2sc3nnccc3c2N)CC1C
InChIInChI=1S/C15H20N4OS/c1-8-3-4-10(7-9(8)2)18-14(20)13-12(16)11-5-6-17-19-15(11)21-13/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,18,20)
InChIKeyXBFYCWWADSKCLC-UHFFFAOYSA-N
XLogP2.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
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
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519243
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80517353) is 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide is CC1CCC(NC(=O)c2sc3nnccc3c2N)CC1C.
What is the InChIKey of 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is XBFYCWWADSKCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8-3-4-10(7-9(8)2)18-14(20)13-12(16)11-5-6-17-19-15(11)21-13/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80517353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).