2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide

C13H11N7O — CID 107790636

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(CN)nn2)cc1C#N
InChIInChI=1S/C13H11N7O/c14-4-9-1-2-11(3-10(9)5-15)17-13(21)8-20-7-12(6-16)18-19-20/h1-3,7H,6,8,16H2,(H,17,21)
InChIKeyFJVONPHUGQLLKP-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.12
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide (PubChem CID 107790636) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide
PubChem CID107790636
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(CN)nn2)cc1C#N
InChIInChI=1S/C13H11N7O/c14-4-9-1-2-11(3-10(9)5-15)17-13(21)8-20-7-12(6-16)18-19-20/h1-3,7H,6,8,16H2,(H,17,21)
InChIKeyFJVONPHUGQLLKP-UHFFFAOYSA-N
XLogP0.12
TPSA133.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
2-[4-(aminomethyl)triazol-1-yl]-N-(2-bromo-4-cyanophenyl)acetamide
CID 115459165
2-[4-(aminomethyl)triazol-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 115459155
5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
CID 115460248
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 62054464
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224
N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
CID 62056005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide (CID 107790636) is 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide is N#Cc1ccc(NC(=O)Cn2cc(CN)nn2)cc1C#N.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide?
The InChIKey is FJVONPHUGQLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c14-4-9-1-2-11(3-10(9)5-15)17-13(21)8-20-7-12(6-16)18-19-20/h1-3,7H,6,8,16H2,(H,17,21).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide is sourced from PubChem (CID 107790636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).