[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine

C17H17FN4O — CID 94940092

IUPAC[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C17H17FN4O/c1-11-6-7-16(23-2)15(8-11)22-17(14(10-19)20-21-22)12-4-3-5-13(18)9-12/h3-9H,10,19H2,1-2H3
InChIKeyBGAQXDXWOVMOOD-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.85
Rot. Bonds4

About [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine

[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine (PubChem CID 94940092) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
PubChem CID94940092
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C17H17FN4O/c1-11-6-7-16(23-2)15(8-11)22-17(14(10-19)20-21-22)12-4-3-5-13(18)9-12/h3-9H,10,19H2,1-2H3
InChIKeyBGAQXDXWOVMOOD-UHFFFAOYSA-N
XLogP2.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82198604
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[1-(2,3-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 82195761
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine (CID 94940092) is [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine is COc1ccc(C)cc1-n1nnc(CN)c1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is BGAQXDXWOVMOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-6-7-16(23-2)15(8-11)22-17(14(10-19)20-21-22)12-4-3-5-13(18)9-12/h3-9H,10,19H2,1-2H3.
What are the key properties of [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 312.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94940092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).