4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one

C14H19N3OS — CID 82442949

IUPAC4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
SMILESCCCCn1nc(C)cc(C(N)c2cccs2)c1=O
InChIInChI=1S/C14H19N3OS/c1-3-4-7-17-14(18)11(9-10(2)16-17)13(15)12-6-5-8-19-12/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyQBKSKSYKVMNEFV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds5

About 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one

4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one (PubChem CID 82442949) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
PubChem CID82442949
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
SMILESCCCCn1nc(C)cc(C(N)c2cccs2)c1=O
InChIInChI=1S/C14H19N3OS/c1-3-4-7-17-14(18)11(9-10(2)16-17)13(15)12-6-5-8-19-12/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyQBKSKSYKVMNEFV-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495
3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525337
4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442812
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523254
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
CID 82442733
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775

Frequently Asked Questions

What is the IUPAC name of 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one?
The IUPAC name of 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one (CID 82442949) is 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one.
What is the SMILES notation for 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one?
The canonical SMILES for 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one is CCCCn1nc(C)cc(C(N)c2cccs2)c1=O.
What is the InChIKey of 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one?
The InChIKey is QBKSKSYKVMNEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-4-7-17-14(18)11(9-10(2)16-17)13(15)12-6-5-8-19-12/h5-6,8-9,13H,3-4,7,15H2,1-2H3.
What are the key properties of 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one?
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one has a molecular weight of 277.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one is sourced from PubChem (CID 82442949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).