2-but-2-en-2-yl-1,3,5-triazine

C7H9N3 — CID 57038737

IUPAC2-but-2-en-2-yl-1,3,5-triazine
SMILESCC=C(C)c1ncncn1
InChIInChI=1S/C7H9N3/c1-3-6(2)7-9-4-8-5-10-7/h3-5H,1-2H3
InChIKeyCDHOPPXPMITHOS-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.29
Rot. Bonds1

About 2-but-2-en-2-yl-1,3,5-triazine

2-but-2-en-2-yl-1,3,5-triazine (PubChem CID 57038737) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-but-2-en-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-but-2-en-2-yl-1,3,5-triazine
PubChem CID57038737
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-but-2-en-2-yl-1,3,5-triazine
SMILESCC=C(C)c1ncncn1
InChIInChI=1S/C7H9N3/c1-3-6(2)7-9-4-8-5-10-7/h3-5H,1-2H3
InChIKeyCDHOPPXPMITHOS-UHFFFAOYSA-N
XLogP1.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-1,3,5-triazine?
The IUPAC name of 2-but-2-en-2-yl-1,3,5-triazine (CID 57038737) is 2-but-2-en-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-but-2-en-2-yl-1,3,5-triazine?
The canonical SMILES for 2-but-2-en-2-yl-1,3,5-triazine is CC=C(C)c1ncncn1.
What is the InChIKey of 2-but-2-en-2-yl-1,3,5-triazine?
The InChIKey is CDHOPPXPMITHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-6(2)7-9-4-8-5-10-7/h3-5H,1-2H3.
What are the key properties of 2-but-2-en-2-yl-1,3,5-triazine?
2-but-2-en-2-yl-1,3,5-triazine has a molecular weight of 135.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-1,3,5-triazine is sourced from PubChem (CID 57038737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).