4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide

C15H15N5OS — CID 94935863

IUPAC4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide
SMILESNCc1nnn(-c2ccc(C(N)=O)cc2)c1Cc1cccs1
InChIInChI=1S/C15H15N5OS/c16-9-13-14(8-12-2-1-7-22-12)20(19-18-13)11-5-3-10(4-6-11)15(17)21/h1-7H,8-9,16H2,(H2,17,21)
InChIKeyWRABHZBNHBGYJF-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.48
Rot. Bonds5

About 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide

4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide (PubChem CID 94935863) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide
PubChem CID94935863
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide
SMILESNCc1nnn(-c2ccc(C(N)=O)cc2)c1Cc1cccs1
InChIInChI=1S/C15H15N5OS/c16-9-13-14(8-12-2-1-7-22-12)20(19-18-13)11-5-3-10(4-6-11)15(17)21/h1-7H,8-9,16H2,(H2,17,21)
InChIKeyWRABHZBNHBGYJF-UHFFFAOYSA-N
XLogP1.48
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide?
The IUPAC name of 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide (CID 94935863) is 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide.
What is the SMILES notation for 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide?
The canonical SMILES for 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide is NCc1nnn(-c2ccc(C(N)=O)cc2)c1Cc1cccs1.
What is the InChIKey of 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide?
The InChIKey is WRABHZBNHBGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-9-13-14(8-12-2-1-7-22-12)20(19-18-13)11-5-3-10(4-6-11)15(17)21/h1-7H,8-9,16H2,(H2,17,21).
What are the key properties of 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide?
4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide has a molecular weight of 313.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-(thiophen-2-ylmethyl)triazol-1-yl]benzamide is sourced from PubChem (CID 94935863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).