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

C16H16N4OS — CID 122691568

IUPAC5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1
InChIInChI=1S/C16H16N4OS/c1-2-10-3-5-11(6-4-10)9-18-15(21)14-13(17)12-7-8-19-20-16(12)22-14/h3-8H,2,9,17H2,1H3,(H,18,21)
InChIKeyYRFXBUCVCOLCAW-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.77
Rot. Bonds4

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

5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122691568) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122691568
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCCc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1
InChIInChI=1S/C16H16N4OS/c1-2-10-3-5-11(6-4-10)9-18-15(21)14-13(17)12-7-8-19-20-16(12)22-14/h3-8H,2,9,17H2,1H3,(H,18,21)
InChIKeyYRFXBUCVCOLCAW-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 123819219
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 122691568) is 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is CCc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.
What is the InChIKey of 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is YRFXBUCVCOLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-10-3-5-11(6-4-10)9-18-15(21)14-13(17)12-7-8-19-20-16(12)22-14/h3-8H,2,9,17H2,1H3,(H,18,21).
What are the key properties of 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122691568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).