3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine

C12H9Cl2N3O — CID 81037726

IUPAC3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H9Cl2N3O/c13-10-11(15-12(14)17-16-10)18-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeyCQEBFTXIWJBPFB-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.46
Rot. Bonds2

About 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine

3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine (PubChem CID 81037726) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine
PubChem CID81037726
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H9Cl2N3O/c13-10-11(15-12(14)17-16-10)18-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeyCQEBFTXIWJBPFB-UHFFFAOYSA-N
XLogP3.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine (CID 81037726) is 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine?
The InChIKey is CQEBFTXIWJBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-10-11(15-12(14)17-16-10)18-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2.
What are the key properties of 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine?
3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine has a molecular weight of 282.13 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2,3-dihydro-1H-inden-5-yloxy)-1,2,4-triazine is sourced from PubChem (CID 81037726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).