(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine

C9H14BrN3 — CID 83843516

IUPAC(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine
SMILESCc1nc(Br)c2n1CCC(CN)C2
InChIInChI=1S/C9H14BrN3/c1-6-12-9(10)8-4-7(5-11)2-3-13(6)8/h7H,2-5,11H2,1H3
InChIKeyTVSOACIXFHGPJK-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.48
Rot. Bonds1

About (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine

(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine (PubChem CID 83843516) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine
PubChem CID83843516
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine
SMILESCc1nc(Br)c2n1CCC(CN)C2
InChIInChI=1S/C9H14BrN3/c1-6-12-9(10)8-4-7(5-11)2-3-13(6)8/h7H,2-5,11H2,1H3
InChIKeyTVSOACIXFHGPJK-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine?
The IUPAC name of (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine (CID 83843516) is (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine.
What is the SMILES notation for (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine?
The canonical SMILES for (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine is Cc1nc(Br)c2n1CCC(CN)C2.
What is the InChIKey of (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine?
The InChIKey is TVSOACIXFHGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-6-12-9(10)8-4-7(5-11)2-3-13(6)8/h7H,2-5,11H2,1H3.
What are the key properties of (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine?
(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine has a molecular weight of 244.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine is sourced from PubChem (CID 83843516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).