4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid

C8H11N3O4 — CID 171877192

IUPAC4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid
SMILESNc1ccc(C(O)C(O)CC(=O)O)nn1
InChIInChI=1S/C8H11N3O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H2,9,11)(H,13,14)
InChIKeyKXDSWVYWYYEZLC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.07
Rot. Bonds4

About 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid

4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid (PubChem CID 171877192) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid
PubChem CID171877192
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid
SMILESNc1ccc(C(O)C(O)CC(=O)O)nn1
InChIInChI=1S/C8H11N3O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H2,9,11)(H,13,14)
InChIKeyKXDSWVYWYYEZLC-UHFFFAOYSA-N
XLogP-1.07
TPSA129.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 170823434
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CID 170823498
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CID 171863528
CID 171863528
CID 171863593
CID 171863593
CID 171865629
CID 171865629
CID 171867681
CID 171867681
CID 171871817
CID 171871817
CID 171877127
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CID 171878727
CID 171878727
CID 171895043
CID 171895043

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid (CID 171877192) is 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid is Nc1ccc(C(O)C(O)CC(=O)O)nn1.
What is the InChIKey of 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid?
The InChIKey is KXDSWVYWYYEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-6-2-1-4(10-11-6)8(15)5(12)3-7(13)14/h1-2,5,8,12,15H,3H2,(H2,9,11)(H,13,14).
What are the key properties of 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid?
4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).