N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

C10H12N4OS — CID 122275650

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H12N4OS/c1-2-10(15)11-5-8-6-14(13-12-8)9-3-4-16-7-9/h3-4,6-7H,2,5H2,1H3,(H,11,15)
InChIKeyIPALYYLVTKSRJB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.36
Rot. Bonds4

About N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 122275650) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
PubChem CID122275650
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H12N4OS/c1-2-10(15)11-5-8-6-14(13-12-8)9-3-4-16-7-9/h3-4,6-7H,2,5H2,1H3,(H,11,15)
InChIKeyIPALYYLVTKSRJB-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (CID 122275650) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is CCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is IPALYYLVTKSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-10(15)11-5-8-6-14(13-12-8)9-3-4-16-7-9/h3-4,6-7H,2,5H2,1H3,(H,11,15).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 236.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).