3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

C14H18N4O2 — CID 117142605

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC1c1nnc2cccc(C(=O)O)n12
InChIInChI=1S/C14H18N4O2/c1-9(2)17-8-4-6-10(17)13-16-15-12-7-3-5-11(14(19)20)18(12)13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyQGGGQSPOXSPXLB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds3

About 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 117142605) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID117142605
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC1c1nnc2cccc(C(=O)O)n12
InChIInChI=1S/C14H18N4O2/c1-9(2)17-8-4-6-10(17)13-16-15-12-7-3-5-11(14(19)20)18(12)13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyQGGGQSPOXSPXLB-UHFFFAOYSA-N
XLogP1.97
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142582
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139116
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142451
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141571
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141578
3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142712
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138544
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139189
3-(1-propan-2-ylpiperidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141639

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 117142605) is 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is CC(C)N1CCCC1c1nnc2cccc(C(=O)O)n12.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is QGGGQSPOXSPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)17-8-4-6-10(17)13-16-15-12-7-3-5-11(14(19)20)18(12)13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).