2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

C9H15N5O2 — CID 112530886

IUPAC2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESNc1cnn(CC(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C9H15N5O2/c10-8-4-11-14(12-8)6-9(16)13-3-1-2-7(15)5-13/h4,7,15H,1-3,5-6H2,(H2,10,12)
InChIKeyHGMRYSVMMJKDRR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.16
Rot. Bonds2

About 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 112530886) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID112530886
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESNc1cnn(CC(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C9H15N5O2/c10-8-4-11-14(12-8)6-9(16)13-3-1-2-7(15)5-13/h4,7,15H,1-3,5-6H2,(H2,10,12)
InChIKeyHGMRYSVMMJKDRR-UHFFFAOYSA-N
XLogP-1.16
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 112530886) is 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is Nc1cnn(CC(=O)N2CCCC(O)C2)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is HGMRYSVMMJKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-8-4-11-14(12-8)6-9(16)13-3-1-2-7(15)5-13/h4,7,15H,1-3,5-6H2,(H2,10,12).
What are the key properties of 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 112530886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).