2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol

C16H17N3O2 — CID 43690951

IUPAC2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol
SMILESCCOc1cccc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H17N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19)
InChIKeyUPMFWRBXYHJDLJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.28
Rot. Bonds5

About 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol

2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol (PubChem CID 43690951) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol
PubChem CID43690951
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol
SMILESCCOc1cccc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H17N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19)
InChIKeyUPMFWRBXYHJDLJ-UHFFFAOYSA-N
XLogP3.28
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol 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 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol (CID 43690951) is 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol is CCOc1cccc(CNc2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol?
The InChIKey is UPMFWRBXYHJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol?
2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol has a molecular weight of 283.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol is sourced from PubChem (CID 43690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).