(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone

C12H14N6O2 — CID 56915303

IUPAC(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C12H14N6O2/c19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1,4-5,8-9H,2-3,6-7H2,(H,15,16,17)
InChIKeyBTHGOQNQBFEKRZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.28
Rot. Bonds3

About (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone

(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 56915303) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID56915303
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C12H14N6O2/c19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1,4-5,8-9H,2-3,6-7H2,(H,15,16,17)
InChIKeyBTHGOQNQBFEKRZ-UHFFFAOYSA-N
XLogP0.28
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone (CID 56915303) is (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is BTHGOQNQBFEKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1,4-5,8-9H,2-3,6-7H2,(H,15,16,17).
What are the key properties of (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 274.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 56915303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).