1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one

C10H12N4OS — CID 116601651

IUPAC1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCn1ncnc1CC(=O)C(N)c1cccs1
InChIInChI=1S/C10H12N4OS/c1-14-9(12-6-13-14)5-7(15)10(11)8-3-2-4-16-8/h2-4,6,10H,5,11H2,1H3
InChIKeyUNXOQFAKWFVJMJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.69
Rot. Bonds4

About 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601651) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601651
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCn1ncnc1CC(=O)C(N)c1cccs1
InChIInChI=1S/C10H12N4OS/c1-14-9(12-6-13-14)5-7(15)10(11)8-3-2-4-16-8/h2-4,6,10H,5,11H2,1H3
InChIKeyUNXOQFAKWFVJMJ-UHFFFAOYSA-N
XLogP0.69
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
4,4,4-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-one
CID 103311493
1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
CID 116601689
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-(4-aminophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116549596
4-amino-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116608862
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
CID 116601595

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one (CID 116601651) is 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one is Cn1ncnc1CC(=O)C(N)c1cccs1.
What is the InChIKey of 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is UNXOQFAKWFVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-9(12-6-13-14)5-7(15)10(11)8-3-2-4-16-8/h2-4,6,10H,5,11H2,1H3.
What are the key properties of 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 236.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).