5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one

C12H13N5OS — CID 57391884

IUPAC5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=NNC(=O)C(N)C1c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C12H13N5OS/c1-6-10(11(13)12(18)17-14-6)9-4-8(15-16-9)7-2-3-19-5-7/h2-5,10-11H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyVTYIOCHVHKXZMO-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.05
Rot. Bonds2

About 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one

5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 57391884) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID57391884
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=NNC(=O)C(N)C1c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C12H13N5OS/c1-6-10(11(13)12(18)17-14-6)9-4-8(15-16-9)7-2-3-19-5-7/h2-5,10-11H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyVTYIOCHVHKXZMO-UHFFFAOYSA-N
XLogP1.05
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 57391884) is 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one is CC1=NNC(=O)C(N)C1c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VTYIOCHVHKXZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-6-10(11(13)12(18)17-14-6)9-4-8(15-16-9)7-2-3-19-5-7/h2-5,10-11H,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 275.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 57391884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).