ethane;2-(3-ethylphenyl)triazole

C12H17N3 — CID 144607223

IUPACethane;2-(3-ethylphenyl)triazole
SMILESCC.CCc1cccc(-n2nccn2)c1
InChIInChI=1S/C10H11N3.C2H6/c1-2-9-4-3-5-10(8-9)13-11-6-7-12-13;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyYTCKSSDTWCFURI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.86
Rot. Bonds2

About ethane;2-(3-ethylphenyl)triazole

ethane;2-(3-ethylphenyl)triazole (PubChem CID 144607223) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;2-(3-ethylphenyl)triazole.

Molecular Properties

Compound Nameethane;2-(3-ethylphenyl)triazole
PubChem CID144607223
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameethane;2-(3-ethylphenyl)triazole
SMILESCC.CCc1cccc(-n2nccn2)c1
InChIInChI=1S/C10H11N3.C2H6/c1-2-9-4-3-5-10(8-9)13-11-6-7-12-13;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyYTCKSSDTWCFURI-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-chloro-4-ethylphenyl)triazole
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CID 19911472
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ethane;1-(3-ethylphenyl)piperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylphenyl)triazole?
The IUPAC name of ethane;2-(3-ethylphenyl)triazole (CID 144607223) is ethane;2-(3-ethylphenyl)triazole.
What is the SMILES notation for ethane;2-(3-ethylphenyl)triazole?
The canonical SMILES for ethane;2-(3-ethylphenyl)triazole is CC.CCc1cccc(-n2nccn2)c1.
What is the InChIKey of ethane;2-(3-ethylphenyl)triazole?
The InChIKey is YTCKSSDTWCFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H6/c1-2-9-4-3-5-10(8-9)13-11-6-7-12-13;1-2/h3-8H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-ethylphenyl)triazole?
ethane;2-(3-ethylphenyl)triazole has a molecular weight of 203.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylphenyl)triazole is sourced from PubChem (CID 144607223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).