ethane;6-ethyl-1,2,4-triazine

C7H13N3 — CID 142062821

IUPACethane;6-ethyl-1,2,4-triazine
SMILESCC.CCc1cncnn1
InChIInChI=1S/C5H7N3.C2H6/c1-2-5-3-6-4-7-8-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyAZBRKTAKOWKGBE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.46
Rot. Bonds1

About ethane;6-ethyl-1,2,4-triazine

ethane;6-ethyl-1,2,4-triazine (PubChem CID 142062821) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;6-ethyl-1,2,4-triazine.

Molecular Properties

Compound Nameethane;6-ethyl-1,2,4-triazine
PubChem CID142062821
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Nameethane;6-ethyl-1,2,4-triazine
SMILESCC.CCc1cncnn1
InChIInChI=1S/C5H7N3.C2H6/c1-2-5-3-6-4-7-8-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyAZBRKTAKOWKGBE-UHFFFAOYSA-N
XLogP1.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1,2,4-triazine?
The IUPAC name of ethane;6-ethyl-1,2,4-triazine (CID 142062821) is ethane;6-ethyl-1,2,4-triazine.
What is the SMILES notation for ethane;6-ethyl-1,2,4-triazine?
The canonical SMILES for ethane;6-ethyl-1,2,4-triazine is CC.CCc1cncnn1.
What is the InChIKey of ethane;6-ethyl-1,2,4-triazine?
The InChIKey is AZBRKTAKOWKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C2H6/c1-2-5-3-6-4-7-8-5;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-1,2,4-triazine?
ethane;6-ethyl-1,2,4-triazine has a molecular weight of 139.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1,2,4-triazine is sourced from PubChem (CID 142062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).