2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

C12H14N4O — CID 117133495

IUPAC2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESCN1CCC(c2nc3cc(C=O)ccn3n2)C1
InChIInChI=1S/C12H14N4O/c1-15-4-3-10(7-15)12-13-11-6-9(8-17)2-5-16(11)14-12/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyKSJGTPICHDNWFO-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.96
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 117133495) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
PubChem CID117133495
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESCN1CCC(c2nc3cc(C=O)ccn3n2)C1
InChIInChI=1S/C12H14N4O/c1-15-4-3-10(7-15)12-13-11-6-9(8-17)2-5-16(11)14-12/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyKSJGTPICHDNWFO-UHFFFAOYSA-N
XLogP0.96
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.96
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-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117134274
[2-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133612
3-bromo-4-(1-methylpyrrolidin-3-yl)benzaldehyde
CID 83844673
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
2-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133751
2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133557
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117133645
[2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133485
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117134781
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133589

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (CID 117133495) is 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is CN1CCC(c2nc3cc(C=O)ccn3n2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is KSJGTPICHDNWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15-4-3-10(7-15)12-13-11-6-9(8-17)2-5-16(11)14-12/h2,5-6,8,10H,3-4,7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 0.96, 2 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)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117133495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).