2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid

C16H22N6O2 — CID 122061894

IUPAC2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ccc(-n3ccc(C)n3)nn2)C1
InChIInChI=1S/C16H22N6O2/c1-3-21(10-16(23)24)13-8-12(9-13)17-14-4-5-15(19-18-14)22-7-6-11(2)20-22/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,18)(H,23,24)
InChIKeyQFURLPOFJYJSOL-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122061894) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid
PubChem CID122061894
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ccc(-n3ccc(C)n3)nn2)C1
InChIInChI=1S/C16H22N6O2/c1-3-21(10-16(23)24)13-8-12(9-13)17-14-4-5-15(19-18-14)22-7-6-11(2)20-22/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,18)(H,23,24)
InChIKeyQFURLPOFJYJSOL-UHFFFAOYSA-N
XLogP1.32
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133291151
[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
CID 71871516
2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122061797
2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid
CID 122061973
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041968
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 71865388
6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 71847338
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid (CID 122061894) is 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(Nc2ccc(-n3ccc(C)n3)nn2)C1.
What is the InChIKey of 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is QFURLPOFJYJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-21(10-16(23)24)13-8-12(9-13)17-14-4-5-15(19-18-14)22-7-6-11(2)20-22/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,18)(H,23,24).
What are the key properties of 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 330.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).