ethylbenzene;1-(2-methoxyethyl)triazirine

C11H17N3O — CID 21297810

IUPACethylbenzene;1-(2-methoxyethyl)triazirine
SMILESCCc1ccccc1.COCCN1N=N1
InChIInChI=1S/C8H10.C3H7N3O/c1-2-8-6-4-3-5-7-8;1-7-3-2-6-4-5-6/h3-7H,2H2,1H3;2-3H2,1H3
InChIKeyVUTPVHVRQPBNHN-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.48
Rot. Bonds4

About ethylbenzene;1-(2-methoxyethyl)triazirine

ethylbenzene;1-(2-methoxyethyl)triazirine (PubChem CID 21297810) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethylbenzene;1-(2-methoxyethyl)triazirine.

Molecular Properties

Compound Nameethylbenzene;1-(2-methoxyethyl)triazirine
PubChem CID21297810
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethylbenzene;1-(2-methoxyethyl)triazirine
SMILESCCc1ccccc1.COCCN1N=N1
InChIInChI=1S/C8H10.C3H7N3O/c1-2-8-6-4-3-5-7-8;1-7-3-2-6-4-5-6/h3-7H,2H2,1H3;2-3H2,1H3
InChIKeyVUTPVHVRQPBNHN-UHFFFAOYSA-N
XLogP2.48
TPSA36.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-(2-methoxyethyl)triazirine?
The IUPAC name of ethylbenzene;1-(2-methoxyethyl)triazirine (CID 21297810) is ethylbenzene;1-(2-methoxyethyl)triazirine.
What is the SMILES notation for ethylbenzene;1-(2-methoxyethyl)triazirine?
The canonical SMILES for ethylbenzene;1-(2-methoxyethyl)triazirine is CCc1ccccc1.COCCN1N=N1.
What is the InChIKey of ethylbenzene;1-(2-methoxyethyl)triazirine?
The InChIKey is VUTPVHVRQPBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H7N3O/c1-2-8-6-4-3-5-7-8;1-7-3-2-6-4-5-6/h3-7H,2H2,1H3;2-3H2,1H3.
What are the key properties of ethylbenzene;1-(2-methoxyethyl)triazirine?
ethylbenzene;1-(2-methoxyethyl)triazirine has a molecular weight of 207.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-(2-methoxyethyl)triazirine is sourced from PubChem (CID 21297810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).