1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

C14H18FN5 — CID 102793968

IUPAC1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCc1cccc(-c2nc(N3CCC(N)CC3)n[nH]2)c1F
InChIInChI=1S/C14H18FN5/c1-9-3-2-4-11(12(9)15)13-17-14(19-18-13)20-7-5-10(16)6-8-20/h2-4,10H,5-8,16H2,1H3,(H,17,18,19)
InChIKeyGWWAAXSYAZWRMG-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.85
Rot. Bonds2

About 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 102793968) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID102793968
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCc1cccc(-c2nc(N3CCC(N)CC3)n[nH]2)c1F
InChIInChI=1S/C14H18FN5/c1-9-3-2-4-11(12(9)15)13-17-14(19-18-13)20-7-5-10(16)6-8-20/h2-4,10H,5-8,16H2,1H3,(H,17,18,19)
InChIKeyGWWAAXSYAZWRMG-UHFFFAOYSA-N
XLogP1.85
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 102793968) is 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is Cc1cccc(-c2nc(N3CCC(N)CC3)n[nH]2)c1F.
What is the InChIKey of 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is GWWAAXSYAZWRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9-3-2-4-11(12(9)15)13-17-14(19-18-13)20-7-5-10(16)6-8-20/h2-4,10H,5-8,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 102793968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).