1-ethyl-4-phenyltriazole

C10H11N3 — CID 22944458

IUPAC1-ethyl-4-phenyltriazole
SMILESCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3/c1-2-13-8-10(11-12-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyMAJHFYPPCONDRP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds2

About 1-ethyl-4-phenyltriazole

1-ethyl-4-phenyltriazole (PubChem CID 22944458) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-ethyl-4-phenyltriazole.

Molecular Properties

Compound Name1-ethyl-4-phenyltriazole
PubChem CID22944458
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-ethyl-4-phenyltriazole
SMILESCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3/c1-2-13-8-10(11-12-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyMAJHFYPPCONDRP-UHFFFAOYSA-N
XLogP1.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyltriazole?
The IUPAC name of 1-ethyl-4-phenyltriazole (CID 22944458) is 1-ethyl-4-phenyltriazole.
What is the SMILES notation for 1-ethyl-4-phenyltriazole?
The canonical SMILES for 1-ethyl-4-phenyltriazole is CCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-ethyl-4-phenyltriazole?
The InChIKey is MAJHFYPPCONDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-13-8-10(11-12-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-4-phenyltriazole?
1-ethyl-4-phenyltriazole has a molecular weight of 173.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyltriazole is sourced from PubChem (CID 22944458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).