2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide

C12H14FN5O2 — CID 115460141

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(F)c(NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C12H14FN5O2/c1-20-9-2-3-10(13)11(4-9)15-12(19)7-18-6-8(5-14)16-17-18/h2-4,6H,5,7,14H2,1H3,(H,15,19)
InChIKeyQSOWVNYCFHUJQL-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.52
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide (PubChem CID 115460141) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide
PubChem CID115460141
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(F)c(NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C12H14FN5O2/c1-20-9-2-3-10(13)11(4-9)15-12(19)7-18-6-8(5-14)16-17-18/h2-4,6H,5,7,14H2,1H3,(H,15,19)
InChIKeyQSOWVNYCFHUJQL-UHFFFAOYSA-N
XLogP0.52
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide (CID 115460141) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide is COc1ccc(F)c(NC(=O)Cn2cc(CN)nn2)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide?
The InChIKey is QSOWVNYCFHUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-20-9-2-3-10(13)11(4-9)15-12(19)7-18-6-8(5-14)16-17-18/h2-4,6H,5,7,14H2,1H3,(H,15,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide has a molecular weight of 279.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide is sourced from PubChem (CID 115460141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).