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

C15H17N7O3 — CID 67776185

IUPAC5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C15H17N7O3/c1-4-20(2)15-18-11-7-9(5-6-22(11)19-15)17-13(23)12-10(14(24)25)8-16-21(12)3/h5-8H,4H2,1-3H3,(H,17,23)(H,24,25)
InChIKeyDAIUZBQEJIHODS-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.87
Rot. Bonds5

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

5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67776185) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67776185
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C15H17N7O3/c1-4-20(2)15-18-11-7-9(5-6-22(11)19-15)17-13(23)12-10(14(24)25)8-16-21(12)3/h5-8H,4H2,1-3H3,(H,17,23)(H,24,25)
InChIKeyDAIUZBQEJIHODS-UHFFFAOYSA-N
XLogP0.87
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67776185) is 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1.
What is the InChIKey of 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is DAIUZBQEJIHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-4-20(2)15-18-11-7-9(5-6-22(11)19-15)17-13(23)12-10(14(24)25)8-16-21(12)3/h5-8H,4H2,1-3H3,(H,17,23)(H,24,25).
What are the key properties of 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67776185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).