7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H17BrN4 — CID 117144220

IUPAC7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCC1Cc1nnc2cc(Br)ccn12
InChIInChI=1S/C13H17BrN4/c1-2-17-6-3-4-11(17)9-13-16-15-12-8-10(14)5-7-18(12)13/h5,7-8,11H,2-4,6,9H2,1H3
InChIKeyNZNPTGQZPOUCRR-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.52
Rot. Bonds3

About 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117144220) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117144220
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCC1Cc1nnc2cc(Br)ccn12
InChIInChI=1S/C13H17BrN4/c1-2-17-6-3-4-11(17)9-13-16-15-12-8-10(14)5-7-18(12)13/h5,7-8,11H,2-4,6,9H2,1H3
InChIKeyNZNPTGQZPOUCRR-UHFFFAOYSA-N
XLogP2.52
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
7-bromo-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144306
7-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117144209
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-ol
CID 117146658
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146656
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152777
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
3-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxyimidazo[1,5-a]pyridine
CID 117137995
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117144220) is 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCCC1Cc1nnc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NZNPTGQZPOUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-17-6-3-4-11(17)9-13-16-15-12-8-10(14)5-7-18(12)13/h5,7-8,11H,2-4,6,9H2,1H3.
What are the key properties of 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117144220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).