2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone

C9H12Cl2N4O — CID 656255

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(Cl)nc1Cl)N1CCCCC1
InChIInChI=1S/C9H12Cl2N4O/c10-8-12-9(11)15(13-8)6-7(16)14-4-2-1-3-5-14/h1-6H2
InChIKeyHCVQUUJAPYCYEZ-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.60
Rot. Bonds2

About 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone

2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 656255) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID656255
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(Cl)nc1Cl)N1CCCCC1
InChIInChI=1S/C9H12Cl2N4O/c10-8-12-9(11)15(13-8)6-7(16)14-4-2-1-3-5-14/h1-6H2
InChIKeyHCVQUUJAPYCYEZ-UHFFFAOYSA-N
XLogP1.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone (CID 656255) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone is O=C(Cn1nc(Cl)nc1Cl)N1CCCCC1.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is HCVQUUJAPYCYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c10-8-12-9(11)15(13-8)6-7(16)14-4-2-1-3-5-14/h1-6H2.
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 263.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 656255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).