3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine

C10H13Cl2N3O — CID 81038119

IUPAC3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine
SMILESClc1nnc(Cl)c(OC2CCCCCC2)n1
InChIInChI=1S/C10H13Cl2N3O/c11-8-9(13-10(12)15-14-8)16-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyWYWLZHAGTNBQAS-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.28
Rot. Bonds2

About 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine

3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine (PubChem CID 81038119) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine
PubChem CID81038119
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine
SMILESClc1nnc(Cl)c(OC2CCCCCC2)n1
InChIInChI=1S/C10H13Cl2N3O/c11-8-9(13-10(12)15-14-8)16-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyWYWLZHAGTNBQAS-UHFFFAOYSA-N
XLogP3.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 81035272
CID 81035272
CID 81035273
CID 81035273
CID 81035274
CID 81035274
CID 81035455
CID 81035455
CID 81035475
CID 81035475
CID 81035644
CID 81035644
CID 81035659
CID 81035659
CID 81035661
CID 81035661
CID 81035822
CID 81035822
CID 81035831
CID 81035831
CID 81036038
CID 81036038
CID 81036039
CID 81036039

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine (CID 81038119) is 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine is Clc1nnc(Cl)c(OC2CCCCCC2)n1.
What is the InChIKey of 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine?
The InChIKey is WYWLZHAGTNBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-8-9(13-10(12)15-14-8)16-7-5-3-1-2-4-6-7/h7H,1-6H2.
What are the key properties of 3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine?
3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine has a molecular weight of 262.14 g/mol, XLogP of 3.28, 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-cycloheptyloxy-1,2,4-triazine is sourced from PubChem (CID 81038119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).