6-bromo-N-propan-2-yl-1H-indazol-4-amine

C10H12BrN3 — CID 146669428

IUPAC6-bromo-N-propan-2-yl-1H-indazol-4-amine
SMILESCC(C)Nc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C10H12BrN3/c1-6(2)13-9-3-7(11)4-10-8(9)5-12-14-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyTYVIYKOQBFLCRD-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.15
Rot. Bonds2

About 6-bromo-N-propan-2-yl-1H-indazol-4-amine

6-bromo-N-propan-2-yl-1H-indazol-4-amine (PubChem CID 146669428) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-1H-indazol-4-amine
PubChem CID146669428
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name6-bromo-N-propan-2-yl-1H-indazol-4-amine
SMILESCC(C)Nc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C10H12BrN3/c1-6(2)13-9-3-7(11)4-10-8(9)5-12-14-10/h3-6,13H,1-2H3,(H,12,14)
InChIKeyTYVIYKOQBFLCRD-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-yl-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-propan-2-yl-1H-indazol-4-amine (CID 146669428) is 6-bromo-N-propan-2-yl-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-propan-2-yl-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-propan-2-yl-1H-indazol-4-amine is CC(C)Nc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 6-bromo-N-propan-2-yl-1H-indazol-4-amine?
The InChIKey is TYVIYKOQBFLCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(2)13-9-3-7(11)4-10-8(9)5-12-14-10/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of 6-bromo-N-propan-2-yl-1H-indazol-4-amine?
6-bromo-N-propan-2-yl-1H-indazol-4-amine has a molecular weight of 254.13 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-1H-indazol-4-amine is sourced from PubChem (CID 146669428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).