[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine

C13H15FN4 — CID 82210868

IUPAC[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
SMILESC=C(C)Cn1nnc(CN)c1-c1ccccc1F
InChIInChI=1S/C13H15FN4/c1-9(2)8-18-13(12(7-15)16-17-18)10-5-3-4-6-11(10)14/h3-6H,1,7-8,15H2,2H3
InChIKeyLFXJDLNAYJXWCI-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.12
Rot. Bonds4

About [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine

[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine (PubChem CID 82210868) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
PubChem CID82210868
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
SMILESC=C(C)Cn1nnc(CN)c1-c1ccccc1F
InChIInChI=1S/C13H15FN4/c1-9(2)8-18-13(12(7-15)16-17-18)10-5-3-4-6-11(10)14/h3-6H,1,7-8,15H2,2H3
InChIKeyLFXJDLNAYJXWCI-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206438
[1-(2-methylprop-2-enyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 82210912
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516
[5-[(4-chlorophenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210887
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine (CID 82210868) is [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine is C=C(C)Cn1nnc(CN)c1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine?
The InChIKey is LFXJDLNAYJXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9(2)8-18-13(12(7-15)16-17-18)10-5-3-4-6-11(10)14/h3-6H,1,7-8,15H2,2H3.
What are the key properties of [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine?
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine has a molecular weight of 246.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82210868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).