2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C12H14N4O — CID 117136050

IUPAC2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(CC3CCNC3)nc12
InChIInChI=1S/C12H14N4O/c17-8-10-2-1-5-16-12(10)14-11(15-16)6-9-3-4-13-7-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKeyYNUCCCHPKBYZLT-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.69
Rot. Bonds3

About 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117136050) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117136050
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(CC3CCNC3)nc12
InChIInChI=1S/C12H14N4O/c17-8-10-2-1-5-16-12(10)14-11(15-16)6-9-3-4-13-7-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKeyYNUCCCHPKBYZLT-UHFFFAOYSA-N
XLogP0.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 115003848
5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131417
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137330
2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137210
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694
2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136569
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117136126
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 83829233

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117136050) is 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(CC3CCNC3)nc12.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is YNUCCCHPKBYZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-8-10-2-1-5-16-12(10)14-11(15-16)6-9-3-4-13-7-9/h1-2,5,8-9,13H,3-4,6-7H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117136050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).