ethane;4-methyl-2-phenyltriazole

C13H21N3 — CID 143409847

IUPACethane;4-methyl-2-phenyltriazole
SMILESCC.CC.Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3.2C2H6/c1-8-7-10-12(11-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyZZRXVWBGXZJKHH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.63
Rot. Bonds1

About ethane;4-methyl-2-phenyltriazole

ethane;4-methyl-2-phenyltriazole (PubChem CID 143409847) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;4-methyl-2-phenyltriazole.

Molecular Properties

Compound Nameethane;4-methyl-2-phenyltriazole
PubChem CID143409847
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Nameethane;4-methyl-2-phenyltriazole
SMILESCC.CC.Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3.2C2H6/c1-8-7-10-12(11-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyZZRXVWBGXZJKHH-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-phenyltriazole?
The IUPAC name of ethane;4-methyl-2-phenyltriazole (CID 143409847) is ethane;4-methyl-2-phenyltriazole.
What is the SMILES notation for ethane;4-methyl-2-phenyltriazole?
The canonical SMILES for ethane;4-methyl-2-phenyltriazole is CC.CC.Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of ethane;4-methyl-2-phenyltriazole?
The InChIKey is ZZRXVWBGXZJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2C2H6/c1-8-7-10-12(11-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-2-phenyltriazole?
ethane;4-methyl-2-phenyltriazole has a molecular weight of 219.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-phenyltriazole is sourced from PubChem (CID 143409847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).