2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid

C12H12N4O2 — CID 116971458

IUPAC2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccnc2)nn1)C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8(12(17)18)14-11-5-4-10(15-16-11)9-3-2-6-13-7-9/h2-8H,1H3,(H,14,16)(H,17,18)
InChIKeyPBTDLEHRPBVMMG-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.42
Rot. Bonds4

About 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid

2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid (PubChem CID 116971458) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
PubChem CID116971458
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccnc2)nn1)C(=O)O
InChIInChI=1S/C12H12N4O2/c1-8(12(17)18)14-11-5-4-10(15-16-11)9-3-2-6-13-7-9/h2-8H,1H3,(H,14,16)(H,17,18)
InChIKeyPBTDLEHRPBVMMG-UHFFFAOYSA-N
XLogP1.42
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970540
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
CID 134697190
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
CID 116971462
2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
CID 116971445
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621

Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid (CID 116971458) is 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid is CC(Nc1ccc(-c2cccnc2)nn1)C(=O)O.
What is the InChIKey of 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid?
The InChIKey is PBTDLEHRPBVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8(12(17)18)14-11-5-4-10(15-16-11)9-3-2-6-13-7-9/h2-8H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid?
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 116971458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).