(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone

C7H6N4OS — CID 69315568

IUPAC(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
SMILESNc1ncnn1C(=O)c1cccs1
InChIInChI=1S/C7H6N4OS/c8-7-9-4-10-11(7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,9,10)
InChIKeyCIJLZEGCWFVSBW-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.61
Rot. Bonds1

About (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone

(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone (PubChem CID 69315568) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
PubChem CID69315568
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
SMILESNc1ncnn1C(=O)c1cccs1
InChIInChI=1S/C7H6N4OS/c8-7-9-4-10-11(7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,9,10)
InChIKeyCIJLZEGCWFVSBW-UHFFFAOYSA-N
XLogP0.61
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 146673800
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(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
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(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(2-amino-1,3-oxazol-5-yl)-thiophen-2-ylmethanone
CID 69356874
3-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid
CID 2810886
(5-methylbenzotriazol-1-yl)-thiophen-2-ylmethanone
CID 21210330
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
thiophene-2-carboxylic acid;dihydrochloride
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CID 11204853
CID 11204853

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone (CID 69315568) is (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone is Nc1ncnn1C(=O)c1cccs1.
What is the InChIKey of (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is CIJLZEGCWFVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-7-9-4-10-11(7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,9,10).
What are the key properties of (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone?
(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 194.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 69315568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).