(3-bromo-2-propan-2-ylindazol-6-yl)methanamine

C11H14BrN3 — CID 84729857

IUPAC(3-bromo-2-propan-2-ylindazol-6-yl)methanamine
SMILESCC(C)n1nc2cc(CN)ccc2c1Br
InChIInChI=1S/C11H14BrN3/c1-7(2)15-11(12)9-4-3-8(6-13)5-10(9)14-15/h3-5,7H,6,13H2,1-2H3
InChIKeyCVGUCSKXFYBBRE-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.84
Rot. Bonds2

About (3-bromo-2-propan-2-ylindazol-6-yl)methanamine

(3-bromo-2-propan-2-ylindazol-6-yl)methanamine (PubChem CID 84729857) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is (3-bromo-2-propan-2-ylindazol-6-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-propan-2-ylindazol-6-yl)methanamine
PubChem CID84729857
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name(3-bromo-2-propan-2-ylindazol-6-yl)methanamine
SMILESCC(C)n1nc2cc(CN)ccc2c1Br
InChIInChI=1S/C11H14BrN3/c1-7(2)15-11(12)9-4-3-8(6-13)5-10(9)14-15/h3-5,7H,6,13H2,1-2H3
InChIKeyCVGUCSKXFYBBRE-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-propan-2-ylindazol-6-yl)methanamine?
The IUPAC name of (3-bromo-2-propan-2-ylindazol-6-yl)methanamine (CID 84729857) is (3-bromo-2-propan-2-ylindazol-6-yl)methanamine.
What is the SMILES notation for (3-bromo-2-propan-2-ylindazol-6-yl)methanamine?
The canonical SMILES for (3-bromo-2-propan-2-ylindazol-6-yl)methanamine is CC(C)n1nc2cc(CN)ccc2c1Br.
What is the InChIKey of (3-bromo-2-propan-2-ylindazol-6-yl)methanamine?
The InChIKey is CVGUCSKXFYBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7(2)15-11(12)9-4-3-8(6-13)5-10(9)14-15/h3-5,7H,6,13H2,1-2H3.
What are the key properties of (3-bromo-2-propan-2-ylindazol-6-yl)methanamine?
(3-bromo-2-propan-2-ylindazol-6-yl)methanamine has a molecular weight of 268.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-propan-2-ylindazol-6-yl)methanamine is sourced from PubChem (CID 84729857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).