5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H15N7O3 — CID 67775107

IUPAC5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C14H15N7O3/c1-19(2)14-17-10-6-8(4-5-21(10)18-14)16-12(22)11-9(13(23)24)7-15-20(11)3/h4-7H,1-3H3,(H,16,22)(H,23,24)
InChIKeyBVOQFZLOVFZTBR-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.48
Rot. Bonds4

About 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67775107) has the molecular formula C14H15N7O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67775107
Molecular FormulaC14H15N7O3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C14H15N7O3/c1-19(2)14-17-10-6-8(4-5-21(10)18-14)16-12(22)11-9(13(23)24)7-15-20(11)3/h4-7H,1-3H3,(H,16,22)(H,23,24)
InChIKeyBVOQFZLOVFZTBR-UHFFFAOYSA-N
XLogP0.48
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid with MolForge

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Related Compounds

CID 57377630
CID 57377630
CID 57377741
CID 57377741
CID 71538978
CID 71538978
CID 57377850
CID 57377850
CID 57377960
CID 57377960
CID 57378066
CID 57378066
CID 57378391
CID 57378391
CID 57378392
CID 57378392
CID 67774601
CID 67774601
CID 67774901
CID 67774901
CID 67775229
CID 67775229
CID 67775398
CID 67775398

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67775107) is 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1.
What is the InChIKey of 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is BVOQFZLOVFZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3/c1-19(2)14-17-10-6-8(4-5-21(10)18-14)16-12(22)11-9(13(23)24)7-15-20(11)3/h4-7H,1-3H3,(H,16,22)(H,23,24).
What are the key properties of 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67775107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).