1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine

C11H14ClN3 — CID 117254902

IUPAC1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)c2c(C)cccn12
InChIInChI=1S/C11H14ClN3/c1-7-5-4-6-15-9(7)10(12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3
InChIKeyMTMRZFIERPFXPO-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.58
Rot. Bonds2

About 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine

1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine (PubChem CID 117254902) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
PubChem CID117254902
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)c2c(C)cccn12
InChIInChI=1S/C11H14ClN3/c1-7-5-4-6-15-9(7)10(12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3
InChIKeyMTMRZFIERPFXPO-UHFFFAOYSA-N
XLogP2.58
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine (CID 117254902) is 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine is CNC(C)c1nc(Cl)c2c(C)cccn12.
What is the InChIKey of 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The InChIKey is MTMRZFIERPFXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7-5-4-6-15-9(7)10(12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3.
What are the key properties of 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-8-methylimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine is sourced from PubChem (CID 117254902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).