6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid

C9H13N3O3 — CID 83176505

IUPAC6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C9H13N3O3/c1-6(4-5-13)10-8-3-2-7(9(14)15)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyYWSLTSDGVXRTLQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.36
Rot. Bonds5

About 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid

6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid (PubChem CID 83176505) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
PubChem CID83176505
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C9H13N3O3/c1-6(4-5-13)10-8-3-2-7(9(14)15)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyYWSLTSDGVXRTLQ-UHFFFAOYSA-N
XLogP0.36
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
CID 61464059
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885
N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
CID 115744775
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid (CID 83176505) is 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid is CC(CCO)Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid?
The InChIKey is YWSLTSDGVXRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(4-5-13)10-8-3-2-7(9(14)15)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid?
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 83176505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).