N-benzyl-6-bromo-1H-indazol-4-amine

C14H12BrN3 — CID 134144512

IUPACN-benzyl-6-bromo-1H-indazol-4-amine
SMILESBrc1cc(NCc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3/c15-11-6-13(12-9-17-18-14(12)7-11)16-8-10-4-2-1-3-5-10/h1-7,9,16H,8H2,(H,17,18)
InChIKeyXCVRPVUXBHZJHK-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.94
Rot. Bonds3

About N-benzyl-6-bromo-1H-indazol-4-amine

N-benzyl-6-bromo-1H-indazol-4-amine (PubChem CID 134144512) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is N-benzyl-6-bromo-1H-indazol-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-1H-indazol-4-amine
PubChem CID134144512
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC NameN-benzyl-6-bromo-1H-indazol-4-amine
SMILESBrc1cc(NCc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3/c15-11-6-13(12-9-17-18-14(12)7-11)16-8-10-4-2-1-3-5-10/h1-7,9,16H,8H2,(H,17,18)
InChIKeyXCVRPVUXBHZJHK-UHFFFAOYSA-N
XLogP3.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-1H-indazol-4-amine?
The IUPAC name of N-benzyl-6-bromo-1H-indazol-4-amine (CID 134144512) is N-benzyl-6-bromo-1H-indazol-4-amine.
What is the SMILES notation for N-benzyl-6-bromo-1H-indazol-4-amine?
The canonical SMILES for N-benzyl-6-bromo-1H-indazol-4-amine is Brc1cc(NCc2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of N-benzyl-6-bromo-1H-indazol-4-amine?
The InChIKey is XCVRPVUXBHZJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-11-6-13(12-9-17-18-14(12)7-11)16-8-10-4-2-1-3-5-10/h1-7,9,16H,8H2,(H,17,18).
What are the key properties of N-benzyl-6-bromo-1H-indazol-4-amine?
N-benzyl-6-bromo-1H-indazol-4-amine has a molecular weight of 302.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-1H-indazol-4-amine is sourced from PubChem (CID 134144512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).