5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene

C4H7N3 — CID 147014734

IUPAC5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene
SMILESCN1CN2CN=C12
InChIInChI=1S/C4H7N3/c1-6-3-7-2-5-4(6)7/h2-3H2,1H3
InChIKeyAUOAHJYPANAFDL-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.48
Rot. Bonds

About 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene

5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene (PubChem CID 147014734) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene.

Molecular Properties

Compound Name5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene
PubChem CID147014734
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene
SMILESCN1CN2CN=C12
InChIInChI=1S/C4H7N3/c1-6-3-7-2-5-4(6)7/h2-3H2,1H3
InChIKeyAUOAHJYPANAFDL-UHFFFAOYSA-N
XLogP-0.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene?
The IUPAC name of 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene (CID 147014734) is 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene.
What is the SMILES notation for 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene?
The canonical SMILES for 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene is CN1CN2CN=C12.
What is the InChIKey of 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene?
The InChIKey is AUOAHJYPANAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-6-3-7-2-5-4(6)7/h2-3H2,1H3.
What are the key properties of 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene?
5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene has a molecular weight of 97.12 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,5-triazabicyclo[2.2.0]hex-3-ene is sourced from PubChem (CID 147014734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).