1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine

C9H11BrN4 — CID 83901116

IUPAC1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine
SMILESCN(C)c1ccn2c(N)nc(Br)c2c1
InChIInChI=1S/C9H11BrN4/c1-13(2)6-3-4-14-7(5-6)8(10)12-9(14)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyRNIMVIPPVLSZAB-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.75
Rot. Bonds1

About 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine

1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine (PubChem CID 83901116) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine.

Molecular Properties

Compound Name1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine
PubChem CID83901116
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine
SMILESCN(C)c1ccn2c(N)nc(Br)c2c1
InChIInChI=1S/C9H11BrN4/c1-13(2)6-3-4-14-7(5-6)8(10)12-9(14)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyRNIMVIPPVLSZAB-UHFFFAOYSA-N
XLogP1.75
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine?
The IUPAC name of 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine (CID 83901116) is 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine.
What is the SMILES notation for 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine?
The canonical SMILES for 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine is CN(C)c1ccn2c(N)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine?
The InChIKey is RNIMVIPPVLSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-13(2)6-3-4-14-7(5-6)8(10)12-9(14)11/h3-5H,1-2H3,(H2,11,12).
What are the key properties of 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine?
1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine has a molecular weight of 255.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine is sourced from PubChem (CID 83901116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).