5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one

C14H17N3OS — CID 103219921

IUPAC5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
SMILESCCc1ccc(Cn2ncc(NC3CC3)cc2=O)s1
InChIInChI=1S/C14H17N3OS/c1-2-12-5-6-13(19-12)9-17-14(18)7-11(8-15-17)16-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3
InChIKeyNEZIEJVLKXWZFA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds5

About 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one

5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one (PubChem CID 103219921) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
PubChem CID103219921
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
SMILESCCc1ccc(Cn2ncc(NC3CC3)cc2=O)s1
InChIInChI=1S/C14H17N3OS/c1-2-12-5-6-13(19-12)9-17-14(18)7-11(8-15-17)16-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3
InChIKeyNEZIEJVLKXWZFA-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103219677
5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103219794
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 103219917
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
5-(cyclopropylamino)-2-pent-3-ynylpyridazin-3-one
CID 103219688
2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103219751
2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
CID 103220724
5-(cyclobutylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103220509
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103220570

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one (CID 103219921) is 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one is CCc1ccc(Cn2ncc(NC3CC3)cc2=O)s1.
What is the InChIKey of 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
The InChIKey is NEZIEJVLKXWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-12-5-6-13(19-12)9-17-14(18)7-11(8-15-17)16-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one has a molecular weight of 275.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).