1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione

C14H10Cl2N4O3 — CID 19881224

IUPAC1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccccn3)c(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H10Cl2N4O3/c15-9-5-8(20-7-11(21)18-14(22)19-20)6-10(16)13(9)23-12-3-1-2-4-17-12/h1-6H,7H2,(H2,18,19,21,22)
InChIKeyTUCFNKQYHHDGCP-UHFFFAOYSA-N
MW353.17 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione

1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione (PubChem CID 19881224) has the molecular formula C14H10Cl2N4O3 and a molecular weight of 353.17 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione
PubChem CID19881224
Molecular FormulaC14H10Cl2N4O3
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione
SMILESO=C1CN(c2cc(Cl)c(Oc3ccccn3)c(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H10Cl2N4O3/c15-9-5-8(20-7-11(21)18-14(22)19-20)6-10(16)13(9)23-12-3-1-2-4-17-12/h1-6H,7H2,(H2,18,19,21,22)
InChIKeyTUCFNKQYHHDGCP-UHFFFAOYSA-N
XLogP2.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione?
The IUPAC name of 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione (CID 19881224) is 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione?
The canonical SMILES for 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione is O=C1CN(c2cc(Cl)c(Oc3ccccn3)c(Cl)c2)NC(=O)N1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione?
The InChIKey is TUCFNKQYHHDGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O3/c15-9-5-8(20-7-11(21)18-14(22)19-20)6-10(16)13(9)23-12-3-1-2-4-17-12/h1-6H,7H2,(H2,18,19,21,22).
What are the key properties of 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione?
1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione has a molecular weight of 353.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione is sourced from PubChem (CID 19881224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).