6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid

C11H17N3O2 — CID 61464059

IUPAC6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
SMILESCCC(C)C(C)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-4-7(2)8(3)12-10-6-5-9(11(15)16)13-14-10/h5-8H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRVCKKKVNJRSXNH-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.02
Rot. Bonds5

About 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid

6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid (PubChem CID 61464059) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
PubChem CID61464059
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid
SMILESCCC(C)C(C)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-4-7(2)8(3)12-10-6-5-9(11(15)16)13-14-10/h5-8H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRVCKKKVNJRSXNH-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
CID 80517927
6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
CID 65041396
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid (CID 61464059) is 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid is CCC(C)C(C)Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid?
The InChIKey is RVCKKKVNJRSXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-7(2)8(3)12-10-6-5-9(11(15)16)13-14-10/h5-8H,4H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid?
6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-2-ylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 61464059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).