N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine

C17H17FN4O — CID 141264348

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2cc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C17H17FN4O/c1-23-15-8-6-14(7-9-15)22-12-17(20-21-22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,19H,10-11H2,1H3
InChIKeySCBYIZXCIWGMGL-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine

N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine (PubChem CID 141264348) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine
PubChem CID141264348
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2cc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C17H17FN4O/c1-23-15-8-6-14(7-9-15)22-12-17(20-21-22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,19H,10-11H2,1H3
InChIKeySCBYIZXCIWGMGL-UHFFFAOYSA-N
XLogP3.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine (CID 141264348) is N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine is COc1ccc(-n2cc(NCCc3ccccc3F)nn2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is SCBYIZXCIWGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-23-15-8-6-14(7-9-15)22-12-17(20-21-22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine?
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 312.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 141264348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).