4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol

C14H13N3O2 — CID 43743432

IUPAC4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2ccc3cn[nH]c3c2)cc1O
InChIInChI=1S/C14H13N3O2/c18-13-4-1-9(5-14(13)19)7-15-11-3-2-10-8-16-17-12(10)6-11/h1-6,8,15,18-19H,7H2,(H,16,17)
InChIKeyFOCLURCEJLBSGE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.59
Rot. Bonds3

About 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol

4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol (PubChem CID 43743432) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol
PubChem CID43743432
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2ccc3cn[nH]c3c2)cc1O
InChIInChI=1S/C14H13N3O2/c18-13-4-1-9(5-14(13)19)7-15-11-3-2-10-8-16-17-12(10)6-11/h1-6,8,15,18-19H,7H2,(H,16,17)
InChIKeyFOCLURCEJLBSGE-UHFFFAOYSA-N
XLogP2.59
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol
CID 132528948
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
4,4''-(1H-indazol-6-ylazanediyl)bis(methylene)dibenzene-1,2-diol
CID 52945447
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049
4-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]phenol
CID 168295313
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 130335524
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-fluorophenol
CID 146669487
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-methylphenol
CID 146669491
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
CID 146669496
4-{[(2H-indazol-6-yl)amino]methyl}phenol
CID 4368895
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]benzene-1,2-diol
CID 155538038
5-[[(1,3-Dimethylindazol-6-yl)amino]methyl]-2-methoxyphenol
CID 172470783

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol (CID 43743432) is 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol is Oc1ccc(CNc2ccc3cn[nH]c3c2)cc1O.
What is the InChIKey of 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol?
The InChIKey is FOCLURCEJLBSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-4-1-9(5-14(13)19)7-15-11-3-2-10-8-16-17-12(10)6-11/h1-6,8,15,18-19H,7H2,(H,16,17).
What are the key properties of 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol?
4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol has a molecular weight of 255.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 43743432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).