(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate

C10H11N5O4 — CID 123934425

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate
SMILESCc1nnc(CCC(=O)On2c(O)ccc2O)nn1
InChIInChI=1S/C10H11N5O4/c1-6-11-13-7(14-12-6)2-5-10(18)19-15-8(16)3-4-9(15)17/h3-4,16-17H,2,5H2,1H3
InChIKeyBMNJEHJKGLVRFF-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.62
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate (PubChem CID 123934425) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate
PubChem CID123934425
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate
SMILESCc1nnc(CCC(=O)On2c(O)ccc2O)nn1
InChIInChI=1S/C10H11N5O4/c1-6-11-13-7(14-12-6)2-5-10(18)19-15-8(16)3-4-9(15)17/h3-4,16-17H,2,5H2,1H3
InChIKeyBMNJEHJKGLVRFF-UHFFFAOYSA-N
XLogP-0.62
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate (CID 123934425) is (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate is Cc1nnc(CCC(=O)On2c(O)ccc2O)nn1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate?
The InChIKey is BMNJEHJKGLVRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-11-13-7(14-12-6)2-5-10(18)19-15-8(16)3-4-9(15)17/h3-4,16-17H,2,5H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate has a molecular weight of 265.23 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(6-methyl-1,2,4,5-tetrazin-3-yl)propanoate is sourced from PubChem (CID 123934425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).