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

C15H15N3O2 — CID 43690954

IUPAC2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H15N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyHVNMDCZZQSWGFG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.89
Rot. Bonds4

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

2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol (PubChem CID 43690954) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
PubChem CID43690954
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H15N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18)
InChIKeyHVNMDCZZQSWGFG-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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Related Compounds

N-(1H-indazol-5-yl)-2,3-dimethoxybenzamide
CID 6469044
4-((1H-indazol-6-ylamino)methyl)benzene-1,2-diol
CID 43743432
N-[(2,3,4-trimethoxyphenyl)methyl]-1H-indazol-6-amine
CID 784352
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009894
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 25009895
2-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010079
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
CID 25010080
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010081
2-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010253
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010254
(2S)-3-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propane-1,2-diol
CID 25010428

Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol (CID 43690954) is 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol is COc1cccc(CNc2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The InChIKey is HVNMDCZZQSWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-7,9,16,19H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
2-[(1H-indazol-5-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-5-ylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 43690954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).