2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol

C15H15N3O2 — CID 5304120

IUPAC2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cccc3cn[nH]c23)c1O
InChIInChI=1S/C15H15N3O2/c1-20-13-7-3-5-11(15(13)19)8-16-12-6-2-4-10-9-17-18-14(10)12/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyKVDDUBLPDXFOJM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.89
Rot. Bonds4

About 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol

2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol (PubChem CID 5304120) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
PubChem CID5304120
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cccc3cn[nH]c23)c1O
InChIInChI=1S/C15H15N3O2/c1-20-13-7-3-5-11(15(13)19)8-16-12-6-2-4-10-9-17-18-14(10)12/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyKVDDUBLPDXFOJM-UHFFFAOYSA-N
XLogP2.89
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol (CID 5304120) is 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol is COc1cccc(CNc2cccc3cn[nH]c23)c1O.
What is the InChIKey of 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The InChIKey is KVDDUBLPDXFOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-13-7-3-5-11(15(13)19)8-16-12-6-2-4-10-9-17-18-14(10)12/h2-7,9,16,19H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol has a molecular weight of 269.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 5304120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).