3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine

C12H16N6O2 — CID 57292799

IUPAC3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCCOc1nncc(-c2cnnc(OCCC)n2)n1
InChIInChI=1S/C12H16N6O2/c1-3-5-19-11-15-9(7-13-17-11)10-8-14-18-12(16-10)20-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyKPIXEFICLQFKFC-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.30
Rot. Bonds7

About 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine

3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine (PubChem CID 57292799) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine
PubChem CID57292799
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCCOc1nncc(-c2cnnc(OCCC)n2)n1
InChIInChI=1S/C12H16N6O2/c1-3-5-19-11-15-9(7-13-17-11)10-8-14-18-12(16-10)20-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyKPIXEFICLQFKFC-UHFFFAOYSA-N
XLogP1.30
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine?
The IUPAC name of 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine (CID 57292799) is 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine.
What is the SMILES notation for 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine?
The canonical SMILES for 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine is CCCOc1nncc(-c2cnnc(OCCC)n2)n1.
What is the InChIKey of 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine?
The InChIKey is KPIXEFICLQFKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-5-19-11-15-9(7-13-17-11)10-8-14-18-12(16-10)20-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine?
3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine has a molecular weight of 276.30 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazine is sourced from PubChem (CID 57292799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).