2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol

C15H20N4O — CID 61361160

IUPAC2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccc(N)c(O)c2)n1C1CCCCC1
InChIInChI=1S/C15H20N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h7-9,12,20H,2-6,16H2,1H3
InChIKeyQQRBFBMUFDXGOP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.05
Rot. Bonds2

About 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol

2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol (PubChem CID 61361160) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol
PubChem CID61361160
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccc(N)c(O)c2)n1C1CCCCC1
InChIInChI=1S/C15H20N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h7-9,12,20H,2-6,16H2,1H3
InChIKeyQQRBFBMUFDXGOP-UHFFFAOYSA-N
XLogP3.05
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol (CID 61361160) is 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol is Cc1nnc(-c2ccc(N)c(O)c2)n1C1CCCCC1.
What is the InChIKey of 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is QQRBFBMUFDXGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h7-9,12,20H,2-6,16H2,1H3.
What are the key properties of 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol?
2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 272.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 61361160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).