5-propan-2-yloxy-1,2,4-triazine

C6H9N3O — CID 59139279

IUPAC5-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1cnncn1
InChIInChI=1S/C6H9N3O/c1-5(2)10-6-3-8-9-4-7-6/h3-5H,1-2H3
InChIKeyLVTWYTJJRAFNKP-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.66
Rot. Bonds2

About 5-propan-2-yloxy-1,2,4-triazine

5-propan-2-yloxy-1,2,4-triazine (PubChem CID 59139279) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-propan-2-yloxy-1,2,4-triazine.

Molecular Properties

Compound Name5-propan-2-yloxy-1,2,4-triazine
PubChem CID59139279
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1cnncn1
InChIInChI=1S/C6H9N3O/c1-5(2)10-6-3-8-9-4-7-6/h3-5H,1-2H3
InChIKeyLVTWYTJJRAFNKP-UHFFFAOYSA-N
XLogP0.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1,2,4-triazine?
The IUPAC name of 5-propan-2-yloxy-1,2,4-triazine (CID 59139279) is 5-propan-2-yloxy-1,2,4-triazine.
What is the SMILES notation for 5-propan-2-yloxy-1,2,4-triazine?
The canonical SMILES for 5-propan-2-yloxy-1,2,4-triazine is CC(C)Oc1cnncn1.
What is the InChIKey of 5-propan-2-yloxy-1,2,4-triazine?
The InChIKey is LVTWYTJJRAFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5(2)10-6-3-8-9-4-7-6/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yloxy-1,2,4-triazine?
5-propan-2-yloxy-1,2,4-triazine has a molecular weight of 139.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1,2,4-triazine is sourced from PubChem (CID 59139279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).