1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid

C11H15N7O4 — CID 166393130

IUPAC1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid
SMILESCOCCn1nnnc1NC(=O)Cn1nc(C(=O)O)cc1C
InChIInChI=1S/C11H15N7O4/c1-7-5-8(10(20)21)14-18(7)6-9(19)12-11-13-15-16-17(11)3-4-22-2/h5H,3-4,6H2,1-2H3,(H,20,21)(H,12,13,16,19)
InChIKeyPHIAJKNZTWCQGG-UHFFFAOYSA-N
MW309.29 g/mol
LogP-0.84
Rot. Bonds7

About 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid

1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 166393130) has the molecular formula C11H15N7O4 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID166393130
Molecular FormulaC11H15N7O4
Molecular Weight309.29 g/mol
Exact Mass309.12
IUPAC Name1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid
SMILESCOCCn1nnnc1NC(=O)Cn1nc(C(=O)O)cc1C
InChIInChI=1S/C11H15N7O4/c1-7-5-8(10(20)21)14-18(7)6-9(19)12-11-13-15-16-17(11)3-4-22-2/h5H,3-4,6H2,1-2H3,(H,20,21)(H,12,13,16,19)
InChIKeyPHIAJKNZTWCQGG-UHFFFAOYSA-N
XLogP-0.84
TPSA137.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid (CID 166393130) is 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid is COCCn1nnnc1NC(=O)Cn1nc(C(=O)O)cc1C.
What is the InChIKey of 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is PHIAJKNZTWCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O4/c1-7-5-8(10(20)21)14-18(7)6-9(19)12-11-13-15-16-17(11)3-4-22-2/h5H,3-4,6H2,1-2H3,(H,20,21)(H,12,13,16,19).
What are the key properties of 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid?
1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-methoxyethyl)tetrazol-5-yl]amino]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 166393130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).