5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine

C20H24FN7 — CID 169246684

IUPAC5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCN(c3nc(C)ccc3-c3ccc(F)nc3)CC2)n1C
InChIInChI=1S/C20H24FN7/c1-13-4-6-16(15-5-7-17(21)23-12-15)19(24-13)28-10-8-14(9-11-28)18-25-26-20(22-2)27(18)3/h4-7,12,14H,8-11H2,1-3H3,(H,22,26)
InChIKeyNNNVLYGHDURXTR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.15
Rot. Bonds4

About 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine

5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 169246684) has the molecular formula C20H24FN7 and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID169246684
Molecular FormulaC20H24FN7
Molecular Weight381.46 g/mol
Exact Mass381.21
IUPAC Name5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCN(c3nc(C)ccc3-c3ccc(F)nc3)CC2)n1C
InChIInChI=1S/C20H24FN7/c1-13-4-6-16(15-5-7-17(21)23-12-15)19(24-13)28-10-8-14(9-11-28)18-25-26-20(22-2)27(18)3/h4-7,12,14H,8-11H2,1-3H3,(H,22,26)
InChIKeyNNNVLYGHDURXTR-UHFFFAOYSA-N
XLogP3.15
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 169246684) is 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2CCN(c3nc(C)ccc3-c3ccc(F)nc3)CC2)n1C.
What is the InChIKey of 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is NNNVLYGHDURXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7/c1-13-4-6-16(15-5-7-17(21)23-12-15)19(24-13)28-10-8-14(9-11-28)18-25-26-20(22-2)27(18)3/h4-7,12,14H,8-11H2,1-3H3,(H,22,26).
What are the key properties of 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 381.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 169246684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).