6-(2,2-dimethylpropoxy)-1,2,4-triazine

C8H13N3O — CID 6415766

IUPAC6-(2,2-dimethylpropoxy)-1,2,4-triazine
SMILESCC(C)(C)COc1cncnn1
InChIInChI=1S/C8H13N3O/c1-8(2,3)5-12-7-4-9-6-10-11-7/h4,6H,5H2,1-3H3
InChIKeyFBRMPCPEZWCFSM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.30
Rot. Bonds2

About 6-(2,2-dimethylpropoxy)-1,2,4-triazine

6-(2,2-dimethylpropoxy)-1,2,4-triazine (PubChem CID 6415766) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(2,2-dimethylpropoxy)-1,2,4-triazine.

Molecular Properties

Compound Name6-(2,2-dimethylpropoxy)-1,2,4-triazine
PubChem CID6415766
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(2,2-dimethylpropoxy)-1,2,4-triazine
SMILESCC(C)(C)COc1cncnn1
InChIInChI=1S/C8H13N3O/c1-8(2,3)5-12-7-4-9-6-10-11-7/h4,6H,5H2,1-3H3
InChIKeyFBRMPCPEZWCFSM-UHFFFAOYSA-N
XLogP1.30
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropoxy)-1,2,4-triazine?
The IUPAC name of 6-(2,2-dimethylpropoxy)-1,2,4-triazine (CID 6415766) is 6-(2,2-dimethylpropoxy)-1,2,4-triazine.
What is the SMILES notation for 6-(2,2-dimethylpropoxy)-1,2,4-triazine?
The canonical SMILES for 6-(2,2-dimethylpropoxy)-1,2,4-triazine is CC(C)(C)COc1cncnn1.
What is the InChIKey of 6-(2,2-dimethylpropoxy)-1,2,4-triazine?
The InChIKey is FBRMPCPEZWCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)5-12-7-4-9-6-10-11-7/h4,6H,5H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropoxy)-1,2,4-triazine?
6-(2,2-dimethylpropoxy)-1,2,4-triazine has a molecular weight of 167.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropoxy)-1,2,4-triazine is sourced from PubChem (CID 6415766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).