6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine

C12H10BrN3S — CID 146669498

IUPAC6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine
SMILESBrc1cc(NCc2cccs2)c2cn[nH]c2c1
InChIInChI=1S/C12H10BrN3S/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16)
InChIKeyCQJDJAPAVJZREJ-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.00
Rot. Bonds3

About 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine

6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine (PubChem CID 146669498) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine
PubChem CID146669498
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine
SMILESBrc1cc(NCc2cccs2)c2cn[nH]c2c1
InChIInChI=1S/C12H10BrN3S/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16)
InChIKeyCQJDJAPAVJZREJ-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine (CID 146669498) is 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine is Brc1cc(NCc2cccs2)c2cn[nH]c2c1.
What is the InChIKey of 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine?
The InChIKey is CQJDJAPAVJZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-8-4-11(10-7-15-16-12(10)5-8)14-6-9-2-1-3-17-9/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine?
6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine has a molecular weight of 308.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(thiophen-2-ylmethyl)-1H-indazol-4-amine is sourced from PubChem (CID 146669498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).