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

C9H14BrN3 — CID 117247121

IUPAC(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
SMILESCC1CCn2c(Br)nc(CN)c2C1
InChIInChI=1S/C9H14BrN3/c1-6-2-3-13-8(4-6)7(5-11)12-9(13)10/h6H,2-5,11H2,1H3
InChIKeyLEJMRDCKMCARSO-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.69
Rot. Bonds1

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

(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine (PubChem CID 117247121) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
PubChem CID117247121
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
SMILESCC1CCn2c(Br)nc(CN)c2C1
InChIInChI=1S/C9H14BrN3/c1-6-2-3-13-8(4-6)7(5-11)12-9(13)10/h6H,2-5,11H2,1H3
InChIKeyLEJMRDCKMCARSO-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine?
The IUPAC name of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine (CID 117247121) is (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine.
What is the SMILES notation for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine?
The canonical SMILES for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine is CC1CCn2c(Br)nc(CN)c2C1.
What is the InChIKey of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine?
The InChIKey is LEJMRDCKMCARSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-6-2-3-13-8(4-6)7(5-11)12-9(13)10/h6H,2-5,11H2,1H3.
What are the key properties of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine?
(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine has a molecular weight of 244.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine is sourced from PubChem (CID 117247121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).