7-bromo-1-methyl-5-propylindazol-3-amine

C11H14BrN3 — CID 67489903

IUPAC7-bromo-1-methyl-5-propylindazol-3-amine
SMILESCCCc1cc(Br)c2c(c1)c(N)nn2C
InChIInChI=1S/C11H14BrN3/c1-3-4-7-5-8-10(9(12)6-7)15(2)14-11(8)13/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyKMMPOHRROMAMTM-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.87
Rot. Bonds2

About 7-bromo-1-methyl-5-propylindazol-3-amine

7-bromo-1-methyl-5-propylindazol-3-amine (PubChem CID 67489903) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 7-bromo-1-methyl-5-propylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-1-methyl-5-propylindazol-3-amine
PubChem CID67489903
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name7-bromo-1-methyl-5-propylindazol-3-amine
SMILESCCCc1cc(Br)c2c(c1)c(N)nn2C
InChIInChI=1S/C11H14BrN3/c1-3-4-7-5-8-10(9(12)6-7)15(2)14-11(8)13/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyKMMPOHRROMAMTM-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-5-propylindazol-3-amine?
The IUPAC name of 7-bromo-1-methyl-5-propylindazol-3-amine (CID 67489903) is 7-bromo-1-methyl-5-propylindazol-3-amine.
What is the SMILES notation for 7-bromo-1-methyl-5-propylindazol-3-amine?
The canonical SMILES for 7-bromo-1-methyl-5-propylindazol-3-amine is CCCc1cc(Br)c2c(c1)c(N)nn2C.
What is the InChIKey of 7-bromo-1-methyl-5-propylindazol-3-amine?
The InChIKey is KMMPOHRROMAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-4-7-5-8-10(9(12)6-7)15(2)14-11(8)13/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 7-bromo-1-methyl-5-propylindazol-3-amine?
7-bromo-1-methyl-5-propylindazol-3-amine has a molecular weight of 268.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-5-propylindazol-3-amine is sourced from PubChem (CID 67489903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).