2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide

C12H14FN5O2 — CID 114840700

IUPAC2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCOc1cc(-n2cc(CNC(=O)CN)nn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c1-20-11-4-9(2-3-10(11)13)18-7-8(16-17-18)6-15-12(19)5-14/h2-4,7H,5-6,14H2,1H3,(H,15,19)
InChIKeyGOQOXTBPQQFRBS-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.01
Rot. Bonds5

About 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide (PubChem CID 114840700) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide
PubChem CID114840700
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCOc1cc(-n2cc(CNC(=O)CN)nn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c1-20-11-4-9(2-3-10(11)13)18-7-8(16-17-18)6-15-12(19)5-14/h2-4,7H,5-6,14H2,1H3,(H,15,19)
InChIKeyGOQOXTBPQQFRBS-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide (CID 114840700) is 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide is COc1cc(-n2cc(CNC(=O)CN)nn2)ccc1F.
What is the InChIKey of 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is GOQOXTBPQQFRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-20-11-4-9(2-3-10(11)13)18-7-8(16-17-18)6-15-12(19)5-14/h2-4,7H,5-6,14H2,1H3,(H,15,19).
What are the key properties of 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 279.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114840700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).