[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine

C14H13FN4O — CID 82203571

IUPAC[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccc(F)cc2)c1-c1ccco1
InChIInChI=1S/C14H13FN4O/c15-11-5-3-10(4-6-11)9-19-14(12(8-16)17-18-19)13-2-1-7-20-13/h1-7H,8-9,16H2
InChIKeyDGKAGINLSHYGAB-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.18
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine

[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine (PubChem CID 82203571) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
PubChem CID82203571
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccc(F)cc2)c1-c1ccco1
InChIInChI=1S/C14H13FN4O/c15-11-5-3-10(4-6-11)9-19-14(12(8-16)17-18-19)13-2-1-7-20-13/h1-7H,8-9,16H2
InChIKeyDGKAGINLSHYGAB-UHFFFAOYSA-N
XLogP2.18
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203675
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
5-amino-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360762
[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine (CID 82203571) is [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine is NCc1nnn(Cc2ccc(F)cc2)c1-c1ccco1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The InChIKey is DGKAGINLSHYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-11-5-3-10(4-6-11)9-19-14(12(8-16)17-18-19)13-2-1-7-20-13/h1-7H,8-9,16H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine has a molecular weight of 272.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82203571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).