(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone

C15H16F3N5O — CID 51106676

IUPAC(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone
SMILESCC1CCCCN1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C15H16F3N5O/c1-10-4-2-3-7-22(10)14(24)12-9-23(21-20-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8-10H,2-4,7H2,1H3
InChIKeyDMQZOYNXVDXKPG-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.70
Rot. Bonds2

About (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone

(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone (PubChem CID 51106676) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone
PubChem CID51106676
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone
SMILESCC1CCCCN1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C15H16F3N5O/c1-10-4-2-3-7-22(10)14(24)12-9-23(21-20-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8-10H,2-4,7H2,1H3
InChIKeyDMQZOYNXVDXKPG-UHFFFAOYSA-N
XLogP2.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone (CID 51106676) is (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone is CC1CCCCN1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone?
The InChIKey is DMQZOYNXVDXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-10-4-2-3-7-22(10)14(24)12-9-23(21-20-12)13-6-5-11(8-19-13)15(16,17)18/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone?
(2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone is sourced from PubChem (CID 51106676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).