1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone

C15H20N6O — CID 135096582

IUPAC1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(c3nncn3C)CC2)nc1C
InChIInChI=1S/C15H20N6O/c1-10-13(11(2)22)8-16-15(18-10)21-6-4-12(5-7-21)14-19-17-9-20(14)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFKHHGCSBTJJNAR-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone

1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone (PubChem CID 135096582) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
PubChem CID135096582
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCC(c3nncn3C)CC2)nc1C
InChIInChI=1S/C15H20N6O/c1-10-13(11(2)22)8-16-15(18-10)21-6-4-12(5-7-21)14-19-17-9-20(14)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFKHHGCSBTJJNAR-UHFFFAOYSA-N
XLogP1.50
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone (CID 135096582) is 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(N2CCC(c3nncn3C)CC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
The InChIKey is FKHHGCSBTJJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-13(11(2)22)8-16-15(18-10)21-6-4-12(5-7-21)14-19-17-9-20(14)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 135096582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).