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

C11H12N4OS — CID 122275651

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CC1
InChIInChI=1S/C11H12N4OS/c16-11(8-1-2-8)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,1-2,5H2,(H,12,16)
InChIKeyHWVFYOPVLHNACA-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.36
Rot. Bonds4

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

N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 122275651) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID122275651
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CC1
InChIInChI=1S/C11H12N4OS/c16-11(8-1-2-8)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,1-2,5H2,(H,12,16)
InChIKeyHWVFYOPVLHNACA-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
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]cyclopropanecarboxamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide (CID 122275651) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide is O=C(NCc1cn(-c2ccsc2)nn1)C1CC1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is HWVFYOPVLHNACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-11(8-1-2-8)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,1-2,5H2,(H,12,16).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 248.31 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]cyclopropanecarboxamide is sourced from PubChem (CID 122275651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).