3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde

C23H26N4O5 — CID 174550762

IUPAC3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde
SMILESCC(C)c1cc(C2=NNC(C=O)N2c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O
InChIInChI=1S/C23H26N4O5/c1-14(2)17-11-18(20(30)12-19(17)29)22-25-24-21(13-28)27(22)16-5-3-15(4-6-16)23(31)26-7-9-32-10-8-26/h3-6,11-14,21,24,29-30H,7-10H2,1-2H3
InChIKeyQJTKHQNTHCLDAZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.99
Rot. Bonds5

About 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde

3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde (PubChem CID 174550762) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde
PubChem CID174550762
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde
SMILESCC(C)c1cc(C2=NNC(C=O)N2c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O
InChIInChI=1S/C23H26N4O5/c1-14(2)17-11-18(20(30)12-19(17)29)22-25-24-21(13-28)27(22)16-5-3-15(4-6-16)23(31)26-7-9-32-10-8-26/h3-6,11-14,21,24,29-30H,7-10H2,1-2H3
InChIKeyQJTKHQNTHCLDAZ-UHFFFAOYSA-N
XLogP1.99
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-1,5-dihydro-1,2,4-triazole-5-carbaldehyde
CID 174550717
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251
(2,4-dihydroxy-5-propan-2-ylphenyl)-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 143655097
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 137335621
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
CID 164895388
N-ethyl-2,4-dihydroxy-N-[2-(morpholine-4-carbonyl)phenyl]-5-propan-2-ylbenzamide
CID 146316426

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde?
The IUPAC name of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde (CID 174550762) is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde?
The canonical SMILES for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde is CC(C)c1cc(C2=NNC(C=O)N2c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde?
The InChIKey is QJTKHQNTHCLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14(2)17-11-18(20(30)12-19(17)29)22-25-24-21(13-28)27(22)16-5-3-15(4-6-16)23(31)26-7-9-32-10-8-26/h3-6,11-14,21,24,29-30H,7-10H2,1-2H3.
What are the key properties of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde?
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde has a molecular weight of 438.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1,5-dihydro-1,2,4-triazole-5-carbaldehyde is sourced from PubChem (CID 174550762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).