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

C19H19N5O3 — CID 24624854

IUPACN'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
SMILESO=C(CCn1cncn1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H19N5O3/c25-18(10-11-24-14-20-13-21-24)22-23-19(26)12-27-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,25)(H,23,26)
InChIKeyPYKLKXGARUXNLY-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.56
Rot. Bonds7

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

N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide (PubChem CID 24624854) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
PubChem CID24624854
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
SMILESO=C(CCn1cncn1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H19N5O3/c25-18(10-11-24-14-20-13-21-24)22-23-19(26)12-27-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,25)(H,23,26)
InChIKeyPYKLKXGARUXNLY-UHFFFAOYSA-N
XLogP1.56
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide (CID 24624854) is N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide is O=C(CCn1cncn1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
The InChIKey is PYKLKXGARUXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18(10-11-24-14-20-13-21-24)22-23-19(26)12-27-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,13-14H,10-12H2,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide?
N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide has a molecular weight of 365.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide is sourced from PubChem (CID 24624854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).