4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol

C15H15N3O2 — CID 43730828

IUPAC4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2cccc3cn[nH]c23)ccc1O
InChIInChI=1S/C15H15N3O2/c1-20-14-7-10(5-6-13(14)19)8-16-12-4-2-3-11-9-17-18-15(11)12/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyXHZHUUZYUXFDMX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.89
Rot. Bonds4

About 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol

4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol (PubChem CID 43730828) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol
PubChem CID43730828
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2cccc3cn[nH]c23)ccc1O
InChIInChI=1S/C15H15N3O2/c1-20-14-7-10(5-6-13(14)19)8-16-12-4-2-3-11-9-17-18-15(11)12/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyXHZHUUZYUXFDMX-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 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol (CID 43730828) is 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol is COc1cc(CNc2cccc3cn[nH]c23)ccc1O.
What is the InChIKey of 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol?
The InChIKey is XHZHUUZYUXFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-14-7-10(5-6-13(14)19)8-16-12-4-2-3-11-9-17-18-15(11)12/h2-7,9,16,19H,8H2,1H3,(H,17,18).
What are the key properties of 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol?
4-[(1H-indazol-7-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 4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 43730828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).