3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol

C15H20N4O — CID 166080274

IUPAC3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol
SMILESCn1cnnc1C(c1cccc(N)c1)C1CC(C)(O)C1
InChIInChI=1S/C15H20N4O/c1-15(20)7-11(8-15)13(14-18-17-9-19(14)2)10-4-3-5-12(16)6-10/h3-6,9,11,13,20H,7-8,16H2,1-2H3
InChIKeyFHZRSWFZDGBSLC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds3

About 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol

3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol (PubChem CID 166080274) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol
PubChem CID166080274
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol
SMILESCn1cnnc1C(c1cccc(N)c1)C1CC(C)(O)C1
InChIInChI=1S/C15H20N4O/c1-15(20)7-11(8-15)13(14-18-17-9-19(14)2)10-4-3-5-12(16)6-10/h3-6,9,11,13,20H,7-8,16H2,1-2H3
InChIKeyFHZRSWFZDGBSLC-UHFFFAOYSA-N
XLogP1.69
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol (CID 166080274) is 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol is Cn1cnnc1C(c1cccc(N)c1)C1CC(C)(O)C1.
What is the InChIKey of 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol?
The InChIKey is FHZRSWFZDGBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(20)7-11(8-15)13(14-18-17-9-19(14)2)10-4-3-5-12(16)6-10/h3-6,9,11,13,20H,7-8,16H2,1-2H3.
What are the key properties of 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol?
3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 166080274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).