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

C11H13FN6 — CID 136516806

IUPAC5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCCC(c3ncn[nH]3)C2)nc1
InChIInChI=1S/C11H13FN6/c12-9-4-13-11(14-5-9)18-3-1-2-8(6-18)10-15-7-16-17-10/h4-5,7-8H,1-3,6H2,(H,15,16,17)
InChIKeyJARIUPOAEQCUQI-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.12
Rot. Bonds2

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

5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 136516806) has the molecular formula C11H13FN6 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID136516806
Molecular FormulaC11H13FN6
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCCC(c3ncn[nH]3)C2)nc1
InChIInChI=1S/C11H13FN6/c12-9-4-13-11(14-5-9)18-3-1-2-8(6-18)10-15-7-16-17-10/h4-5,7-8H,1-3,6H2,(H,15,16,17)
InChIKeyJARIUPOAEQCUQI-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (CID 136516806) is 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is Fc1cnc(N2CCCC(c3ncn[nH]3)C2)nc1.
What is the InChIKey of 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is JARIUPOAEQCUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c12-9-4-13-11(14-5-9)18-3-1-2-8(6-18)10-15-7-16-17-10/h4-5,7-8H,1-3,6H2,(H,15,16,17).
What are the key properties of 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 248.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 136516806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).