2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide

C15H15N5O2 — CID 11565619

IUPAC2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccccc1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C15H15N5O2/c16-15-11-7-9(5-6-12(11)19-20-15)10-3-1-2-4-13(10)22-8-14(21)18-17/h1-7H,8,17H2,(H,18,21)(H3,16,19,20)
InChIKeyDJZDTCJYFPNLRK-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.18
Rot. Bonds4

About 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide

2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide (PubChem CID 11565619) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
PubChem CID11565619
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccccc1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C15H15N5O2/c16-15-11-7-9(5-6-12(11)19-20-15)10-3-1-2-4-13(10)22-8-14(21)18-17/h1-7H,8,17H2,(H,18,21)(H3,16,19,20)
InChIKeyDJZDTCJYFPNLRK-UHFFFAOYSA-N
XLogP1.18
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide?
The IUPAC name of 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide (CID 11565619) is 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide is NNC(=O)COc1ccccc1-c1ccc2[nH]nc(N)c2c1.
What is the InChIKey of 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide?
The InChIKey is DJZDTCJYFPNLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-15-11-7-9(5-6-12(11)19-20-15)10-3-1-2-4-13(10)22-8-14(21)18-17/h1-7H,8,17H2,(H,18,21)(H3,16,19,20).
What are the key properties of 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide?
2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide has a molecular weight of 297.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide is sourced from PubChem (CID 11565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).