1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide

C14H17FN4O2 — CID 3230994

IUPAC1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C14H17FN4O2/c1-10(2)16-14(20)13-9-19(18-17-13)7-8-21-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,20)
InChIKeyUNWXGIYCDQQUDL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide

1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 3230994) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID3230994
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C14H17FN4O2/c1-10(2)16-14(20)13-9-19(18-17-13)7-8-21-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,20)
InChIKeyUNWXGIYCDQQUDL-UHFFFAOYSA-N
XLogP1.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide (CID 3230994) is 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(CCOc2ccc(F)cc2)nn1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is UNWXGIYCDQQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-10(2)16-14(20)13-9-19(18-17-13)7-8-21-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide?
1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 3230994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).