6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H15ClN4 — CID 117129563

IUPAC6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H15ClN4/c1-2-16-7-3-4-10(16)12-14-11-6-5-9(13)8-17(11)15-12/h5-6,8,10H,2-4,7H2,1H3
InChIKeyKADYCSPPUOMBME-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.54
Rot. Bonds2

About 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117129563) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117129563
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H15ClN4/c1-2-16-7-3-4-10(16)12-14-11-6-5-9(13)8-17(11)15-12/h5-6,8,10H,2-4,7H2,1H3
InChIKeyKADYCSPPUOMBME-UHFFFAOYSA-N
XLogP2.54
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134200
6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990137
6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129973
2-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117134274
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117129656
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
7-chloro-2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine
CID 117134326
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 80551837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117129563) is 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CCN1CCCC1c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KADYCSPPUOMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-16-7-3-4-10(16)12-14-11-6-5-9(13)8-17(11)15-12/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).