[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

C15H20N4O — CID 167186985

IUPAC[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCn1cnnc1C(c1cccc(N)c1)C1CC(CO)C1
InChIInChI=1S/C15H20N4O/c1-19-9-17-18-15(19)14(12-5-10(6-12)8-20)11-3-2-4-13(16)7-11/h2-4,7,9-10,12,14,20H,5-6,8,16H2,1H3
InChIKeyMGZORNNFBDNUOS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds4

About [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (PubChem CID 167186985) 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]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
PubChem CID167186985
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCn1cnnc1C(c1cccc(N)c1)C1CC(CO)C1
InChIInChI=1S/C15H20N4O/c1-19-9-17-18-15(19)14(12-5-10(6-12)8-20)11-3-2-4-13(16)7-11/h2-4,7,9-10,12,14,20H,5-6,8,16H2,1H3
InChIKeyMGZORNNFBDNUOS-UHFFFAOYSA-N
XLogP1.55
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
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]cyclobutyl]methanol?
The IUPAC name of [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (CID 167186985) is [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is Cn1cnnc1C(c1cccc(N)c1)C1CC(CO)C1.
What is the InChIKey of [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The InChIKey is MGZORNNFBDNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-9-17-18-15(19)14(12-5-10(6-12)8-20)11-3-2-4-13(16)7-11/h2-4,7,9-10,12,14,20H,5-6,8,16H2,1H3.
What are the key properties of [3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
[3-[(3-aminophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 1.55, 4 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]cyclobutyl]methanol is sourced from PubChem (CID 167186985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).