N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine

C12H10BrN3S — CID 6456381

IUPACN-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine
SMILESBrc1ccc(CNc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C12H10BrN3S/c13-12-4-3-10(17-12)7-14-9-2-1-8-6-15-16-11(8)5-9/h1-6,14H,7H2,(H,15,16)
InChIKeyMCMKTGLJWJDRRB-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.00
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine

N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine (PubChem CID 6456381) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine
PubChem CID6456381
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine
SMILESBrc1ccc(CNc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C12H10BrN3S/c13-12-4-3-10(17-12)7-14-9-2-1-8-6-15-16-11(8)5-9/h1-6,14H,7H2,(H,15,16)
InChIKeyMCMKTGLJWJDRRB-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 N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine (CID 6456381) is N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine is Brc1ccc(CNc2ccc3cn[nH]c3c2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine?
The InChIKey is MCMKTGLJWJDRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-12-4-3-10(17-12)7-14-9-2-1-8-6-15-16-11(8)5-9/h1-6,14H,7H2,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine?
N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-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 N-[(5-bromothiophen-2-yl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 6456381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).