[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

C14H19FN4 — CID 112594188

IUPAC[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1Cc1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-10(2)9-19-13(17-18-14(19)8-16)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,16H2,1-2H3
InChIKeyBYQORDYKYZDMSW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.12
Rot. Bonds5

About [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112594188) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112594188
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1Cc1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-10(2)9-19-13(17-18-14(19)8-16)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,16H2,1-2H3
InChIKeyBYQORDYKYZDMSW-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594127
[5-[(3,4-dimethylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944256
[5-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594081
3-(chloromethyl)-5-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115398657
[5-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594120
3-(chloromethyl)-5-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115398566
[5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314009
[5-(2-fluoro-4-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594195
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 126101845
[5-(4-chloro-3-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 107995965
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050

Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 112594188) is [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is CC(C)Cn1c(CN)nnc1Cc1cccc(F)c1.
What is the InChIKey of [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BYQORDYKYZDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-10(2)9-19-13(17-18-14(19)8-16)7-11-4-3-5-12(15)6-11/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112594188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).