1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine

C15H20FN5O — CID 90269112

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H20FN5O/c16-14-3-1-13(2-4-14)11-21-12-15(18-19-21)17-5-6-20-7-9-22-10-8-20/h1-4,12,17H,5-11H2
InChIKeyGSEQLNPXMSFSKV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.21
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 90269112) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID90269112
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H20FN5O/c16-14-3-1-13(2-4-14)11-21-12-15(18-19-21)17-5-6-20-7-9-22-10-8-20/h1-4,12,17H,5-11H2
InChIKeyGSEQLNPXMSFSKV-UHFFFAOYSA-N
XLogP1.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 90269112) is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is GSEQLNPXMSFSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c16-14-3-1-13(2-4-14)11-21-12-15(18-19-21)17-5-6-20-7-9-22-10-8-20/h1-4,12,17H,5-11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 305.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 90269112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).