3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine

C6H7Cl2N3O — CID 81035822

IUPAC3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-3(2)12-5-4(7)10-11-6(8)9-5/h3H,1-2H3
InChIKeyNLMCACPQEHMFDX-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.97
Rot. Bonds2

About 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine

3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine (PubChem CID 81035822) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine
PubChem CID81035822
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H7Cl2N3O/c1-3(2)12-5-4(7)10-11-6(8)9-5/h3H,1-2H3
InChIKeyNLMCACPQEHMFDX-UHFFFAOYSA-N
XLogP1.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.97
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-propan-2-yloxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine (CID 81035822) is 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine is CC(C)Oc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine?
The InChIKey is NLMCACPQEHMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c1-3(2)12-5-4(7)10-11-6(8)9-5/h3H,1-2H3.
What are the key properties of 3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine?
3,6-dichloro-5-propan-2-yloxy-1,2,4-triazine has a molecular weight of 208.05 g/mol, XLogP of 1.97, 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-propan-2-yloxy-1,2,4-triazine is sourced from PubChem (CID 81035822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).