2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C13H16N4O — CID 117129065

IUPAC2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCN1CCC(Cc2nc3ccc(C=O)cn3n2)C1
InChIInChI=1S/C13H16N4O/c1-16-5-4-10(7-16)6-12-14-13-3-2-11(9-18)8-17(13)15-12/h2-3,8-10H,4-7H2,1H3
InChIKeyYGIWUBYEVWXMFW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.04
Rot. Bonds3

About 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117129065) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117129065
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCN1CCC(Cc2nc3ccc(C=O)cn3n2)C1
InChIInChI=1S/C13H16N4O/c1-16-5-4-10(7-16)6-12-14-13-3-2-11(9-18)8-17(13)15-12/h2-3,8-10H,4-7H2,1H3
InChIKeyYGIWUBYEVWXMFW-UHFFFAOYSA-N
XLogP1.04
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130450
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129230

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 117129065) is 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is CN1CCC(Cc2nc3ccc(C=O)cn3n2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is YGIWUBYEVWXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-5-4-10(7-16)6-12-14-13-3-2-11(9-18)8-17(13)15-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117129065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).