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

C14H19FN4 — CID 82208417

IUPAC[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
SMILESCC(C)CCn1nnc(CN)c1-c1ccccc1F
InChIInChI=1S/C14H19FN4/c1-10(2)7-8-19-14(13(9-16)17-18-19)11-5-3-4-6-12(11)15/h3-6,10H,7-9,16H2,1-2H3
InChIKeyGDEDLCCUXBLLLE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.59
Rot. Bonds5

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

[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine (PubChem CID 82208417) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
PubChem CID82208417
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
SMILESCC(C)CCn1nnc(CN)c1-c1ccccc1F
InChIInChI=1S/C14H19FN4/c1-10(2)7-8-19-14(13(9-16)17-18-19)11-5-3-4-6-12(11)15/h3-6,10H,7-9,16H2,1-2H3
InChIKeyGDEDLCCUXBLLLE-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
[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
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine (CID 82208417) is [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine is CC(C)CCn1nnc(CN)c1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine?
The InChIKey is GDEDLCCUXBLLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-10(2)7-8-19-14(13(9-16)17-18-19)11-5-3-4-6-12(11)15/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine?
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82208417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).