6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine

C14H14N4O — CID 142889541

IUPAC6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine
SMILESCc1cc(N)ccc1Oc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C14H14N4O/c1-8-6-9(15)2-5-13(8)19-10-3-4-11-12(7-10)17-18-14(11)16/h2-7H,15H2,1H3,(H3,16,17,18)
InChIKeyHMMIUKVBEMIUHV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.83
Rot. Bonds2

About 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine

6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine (PubChem CID 142889541) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine
PubChem CID142889541
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine
SMILESCc1cc(N)ccc1Oc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C14H14N4O/c1-8-6-9(15)2-5-13(8)19-10-3-4-11-12(7-10)17-18-14(11)16/h2-7H,15H2,1H3,(H3,16,17,18)
InChIKeyHMMIUKVBEMIUHV-UHFFFAOYSA-N
XLogP2.83
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine?
The IUPAC name of 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine (CID 142889541) is 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine.
What is the SMILES notation for 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine?
The canonical SMILES for 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine is Cc1cc(N)ccc1Oc1ccc2c(N)n[nH]c2c1.
What is the InChIKey of 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine?
The InChIKey is HMMIUKVBEMIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-6-9(15)2-5-13(8)19-10-3-4-11-12(7-10)17-18-14(11)16/h2-7H,15H2,1H3,(H3,16,17,18).
What are the key properties of 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine?
6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine has a molecular weight of 254.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-methylphenoxy)-1H-indazol-3-amine is sourced from PubChem (CID 142889541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).