2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine

C13H15F3N6 — CID 123844094

IUPAC2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
SMILESCc1cnn(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C13H15F3N6/c1-9-6-19-22(20-9)11-2-4-21(5-3-11)12-17-7-10(8-18-12)13(14,15)16/h6-8,11H,2-5H2,1H3
InChIKeyZSLOPYXJLKGNSB-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.24
Rot. Bonds2

About 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine

2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine (PubChem CID 123844094) has the molecular formula C13H15F3N6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
PubChem CID123844094
Molecular FormulaC13H15F3N6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
SMILESCc1cnn(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C13H15F3N6/c1-9-6-19-22(20-9)11-2-4-21(5-3-11)12-17-7-10(8-18-12)13(14,15)16/h6-8,11H,2-5H2,1H3
InChIKeyZSLOPYXJLKGNSB-UHFFFAOYSA-N
XLogP2.24
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine (CID 123844094) is 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine is Cc1cnn(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The InChIKey is ZSLOPYXJLKGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6/c1-9-6-19-22(20-9)11-2-4-21(5-3-11)12-17-7-10(8-18-12)13(14,15)16/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine has a molecular weight of 312.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123844094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).