3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide

C27H41N5O2 — CID 90130916

IUPAC3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide
SMILESCc1ccc(N(N)C(=O)C(C)C(CCO)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1
InChIInChI=1S/C27H41N5O2/c1-16(2)12-20-14-21(15-20)25-29-30-26(31(25)22-7-8-22)23(10-11-33)19(5)27(34)32(28)24-9-6-17(3)13-18(24)4/h6,9,13,16,19-23,33H,7-8,10-12,14-15,28H2,1-5H3
InChIKeyDQRIJLSETWVDCZ-UHFFFAOYSA-N
MW467.66 g/mol
LogP4.78
Rot. Bonds10

About 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide (PubChem CID 90130916) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide
PubChem CID90130916
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide
SMILESCc1ccc(N(N)C(=O)C(C)C(CCO)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1
InChIInChI=1S/C27H41N5O2/c1-16(2)12-20-14-21(15-20)25-29-30-26(31(25)22-7-8-22)23(10-11-33)19(5)27(34)32(28)24-9-6-17(3)13-18(24)4/h6,9,13,16,19-23,33H,7-8,10-12,14-15,28H2,1-5H3
InChIKeyDQRIJLSETWVDCZ-UHFFFAOYSA-N
XLogP4.78
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide?
The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide (CID 90130916) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide.
What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide?
The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide is Cc1ccc(N(N)C(=O)C(C)C(CCO)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1.
What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide?
The InChIKey is DQRIJLSETWVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-16(2)12-20-14-21(15-20)25-29-30-26(31(25)22-7-8-22)23(10-11-33)19(5)27(34)32(28)24-9-6-17(3)13-18(24)4/h6,9,13,16,19-23,33H,7-8,10-12,14-15,28H2,1-5H3.
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide?
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide has a molecular weight of 467.66 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methylpentanehydrazide is sourced from PubChem (CID 90130916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).