(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C14H16F3N7O — CID 126889605

IUPAC(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)nn1
InChIInChI=1S/C14H16F3N7O/c1-23-7-10(21-22-23)13(25)24-4-2-9(3-5-24)20-12-6-11(14(15,16)17)18-8-19-12/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyIKRJZFDOMBHAGW-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.34
Rot. Bonds3

About (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889605) has the molecular formula C14H16F3N7O and a molecular weight of 355.32 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889605
Molecular FormulaC14H16F3N7O
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Name(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)nn1
InChIInChI=1S/C14H16F3N7O/c1-23-7-10(21-22-23)13(25)24-4-2-9(3-5-24)20-12-6-11(14(15,16)17)18-8-19-12/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyIKRJZFDOMBHAGW-UHFFFAOYSA-N
XLogP1.34
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889605) is (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is IKRJZFDOMBHAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N7O/c1-23-7-10(21-22-23)13(25)24-4-2-9(3-5-24)20-12-6-11(14(15,16)17)18-8-19-12/h6-9H,2-5H2,1H3,(H,18,19,20).
What are the key properties of (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
(1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 355.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).