N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine

C14H13BrN4 — CID 146669486

IUPACN-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
SMILESNc1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H13BrN4/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h1-6,8,17H,7,16H2,(H,18,19)
InChIKeyHYTGWQNOSSPLQP-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.52
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine

N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine (PubChem CID 146669486) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
PubChem CID146669486
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC NameN-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
SMILESNc1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H13BrN4/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h1-6,8,17H,7,16H2,(H,18,19)
InChIKeyHYTGWQNOSSPLQP-UHFFFAOYSA-N
XLogP3.52
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine (CID 146669486) is N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine is Nc1ccccc1CNc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine?
The InChIKey is HYTGWQNOSSPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h1-6,8,17H,7,16H2,(H,18,19).
What are the key properties of N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine?
N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine has a molecular weight of 317.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine is sourced from PubChem (CID 146669486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).