8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H16BrN5 — CID 104973459

IUPAC8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESBrc1cccn2nc(NCC[C@@H]3CCCN3)nc12
InChIInChI=1S/C12H16BrN5/c13-10-4-2-8-18-11(10)16-12(17-18)15-7-5-9-3-1-6-14-9/h2,4,8-9,14H,1,3,5-7H2,(H,15,17)/t9-/m0/s1
InChIKeyABUZTKMTLNVNFG-VIFPVBQESA-N
MW310.20 g/mol
LogP2.05
Rot. Bonds4

About 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 104973459) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID104973459
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESBrc1cccn2nc(NCC[C@@H]3CCCN3)nc12
InChIInChI=1S/C12H16BrN5/c13-10-4-2-8-18-11(10)16-12(17-18)15-7-5-9-3-1-6-14-9/h2,4,8-9,14H,1,3,5-7H2,(H,15,17)/t9-/m0/s1
InChIKeyABUZTKMTLNVNFG-VIFPVBQESA-N
XLogP2.05
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104973204
8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688703
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 67479148
2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104591764
6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
CID 114794421

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 104973459) is 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Brc1cccn2nc(NCC[C@@H]3CCCN3)nc12.
What is the InChIKey of 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ABUZTKMTLNVNFG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrN5/c13-10-4-2-8-18-11(10)16-12(17-18)15-7-5-9-3-1-6-14-9/h2,4,8-9,14H,1,3,5-7H2,(H,15,17)/t9-/m0/s1.
What are the key properties of 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 310.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 104973459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).