N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide

C15H19N5O3 — CID 134024169

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCn2cncn2)c1
InChIInChI=1S/C15H19N5O3/c1-11-5-12(2)7-13(6-11)23-8-15(22)19-18-14(21)3-4-20-10-16-9-17-20/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHMPNNDDAALKHDZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.51
Rot. Bonds6

About N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide (PubChem CID 134024169) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
PubChem CID134024169
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCn2cncn2)c1
InChIInChI=1S/C15H19N5O3/c1-11-5-12(2)7-13(6-11)23-8-15(22)19-18-14(21)3-4-20-10-16-9-17-20/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHMPNNDDAALKHDZ-UHFFFAOYSA-N
XLogP0.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
CID 36848593
N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 24624854
2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723
2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 71995156
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
CID 47102488
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide (CID 134024169) is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)CCn2cncn2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The InChIKey is HMPNNDDAALKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-5-12(2)7-13(6-11)23-8-15(22)19-18-14(21)3-4-20-10-16-9-17-20/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide has a molecular weight of 317.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide is sourced from PubChem (CID 134024169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).