5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide

C16H16N4O3S — CID 51040527

IUPAC5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C16H16N4O3S/c1-8(2)18-15(22)13-11-7-24-14(17)12(11)16(23)20(19-13)9-3-5-10(21)6-4-9/h3-8,21H,17H2,1-2H3,(H,18,22)
InChIKeyVTTDGJRBNGGIQL-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.87
Rot. Bonds3

About 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide

5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide (PubChem CID 51040527) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
PubChem CID51040527
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C16H16N4O3S/c1-8(2)18-15(22)13-11-7-24-14(17)12(11)16(23)20(19-13)9-3-5-10(21)6-4-9/h3-8,21H,17H2,1-2H3,(H,18,22)
InChIKeyVTTDGJRBNGGIQL-UHFFFAOYSA-N
XLogP1.87
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide (CID 51040527) is 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide is CC(C)NC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
The InChIKey is VTTDGJRBNGGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-8(2)18-15(22)13-11-7-24-14(17)12(11)16(23)20(19-13)9-3-5-10(21)6-4-9/h3-8,21H,17H2,1-2H3,(H,18,22).
What are the key properties of 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide?
5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-hydroxyphenyl)-4-oxo-N-propan-2-ylthieno[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 51040527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).