5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol

C15H15N3O2 — CID 30983488

IUPAC5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1O
InChIInChI=1S/C15H15N3O2/c1-20-15-5-2-10(6-14(15)19)8-16-12-3-4-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyTWEDLQLSWSETTA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.89
Rot. Bonds4

About 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol

5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol (PubChem CID 30983488) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
PubChem CID30983488
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1O
InChIInChI=1S/C15H15N3O2/c1-20-15-5-2-10(6-14(15)19)8-16-12-3-4-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyTWEDLQLSWSETTA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol (CID 30983488) is 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol is COc1ccc(CNc2ccc3[nH]ncc3c2)cc1O.
What is the InChIKey of 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol?
The InChIKey is TWEDLQLSWSETTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-15-5-2-10(6-14(15)19)8-16-12-3-4-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18).
What are the key properties of 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol?
5-[(1H-indazol-5-ylamino)methyl]-2-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 5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 30983488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).