2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone

C12H14N6O — CID 116590781

IUPAC2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
SMILESNc1ncccc1CC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H14N6O/c13-12-8(2-1-3-15-12)4-11(19)10-7-18(17-16-10)9-5-14-6-9/h1-3,7,9,14H,4-6H2,(H2,13,15)
InChIKeyRRMBFFBRXGCEFZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone

2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone (PubChem CID 116590781) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
PubChem CID116590781
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
SMILESNc1ncccc1CC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H14N6O/c13-12-8(2-1-3-15-12)4-11(19)10-7-18(17-16-10)9-5-14-6-9/h1-3,7,9,14H,4-6H2,(H2,13,15)
InChIKeyRRMBFFBRXGCEFZ-UHFFFAOYSA-N
XLogP-0.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone (CID 116590781) is 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone is Nc1ncccc1CC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone?
The InChIKey is RRMBFFBRXGCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-12-8(2-1-3-15-12)4-11(19)10-7-18(17-16-10)9-5-14-6-9/h1-3,7,9,14H,4-6H2,(H2,13,15).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone?
2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone has a molecular weight of 258.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone is sourced from PubChem (CID 116590781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).