3,5-dimethoxy-1,2,4-triazine

C5H7N3O2 — CID 15618515

IUPAC3,5-dimethoxy-1,2,4-triazine
SMILESCOc1cnnc(OC)n1
InChIInChI=1S/C5H7N3O2/c1-9-4-3-6-8-5(7-4)10-2/h3H,1-2H3
InChIKeyITCODCZDKOZZJD-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.11
Rot. Bonds2

About 3,5-dimethoxy-1,2,4-triazine

3,5-dimethoxy-1,2,4-triazine (PubChem CID 15618515) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3,5-dimethoxy-1,2,4-triazine.

Molecular Properties

Compound Name3,5-dimethoxy-1,2,4-triazine
PubChem CID15618515
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3,5-dimethoxy-1,2,4-triazine
SMILESCOc1cnnc(OC)n1
InChIInChI=1S/C5H7N3O2/c1-9-4-3-6-8-5(7-4)10-2/h3H,1-2H3
InChIKeyITCODCZDKOZZJD-UHFFFAOYSA-N
XLogP-0.11
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1,2,4-triazine?
The IUPAC name of 3,5-dimethoxy-1,2,4-triazine (CID 15618515) is 3,5-dimethoxy-1,2,4-triazine.
What is the SMILES notation for 3,5-dimethoxy-1,2,4-triazine?
The canonical SMILES for 3,5-dimethoxy-1,2,4-triazine is COc1cnnc(OC)n1.
What is the InChIKey of 3,5-dimethoxy-1,2,4-triazine?
The InChIKey is ITCODCZDKOZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-9-4-3-6-8-5(7-4)10-2/h3H,1-2H3.
What are the key properties of 3,5-dimethoxy-1,2,4-triazine?
3,5-dimethoxy-1,2,4-triazine has a molecular weight of 141.13 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1,2,4-triazine is sourced from PubChem (CID 15618515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).