3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid

C13H17N5O2 — CID 122059582

IUPAC3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
SMILESCc1cc(C)n(-c2ccc(N(C)CCC(=O)O)nn2)n1
InChIInChI=1S/C13H17N5O2/c1-9-8-10(2)18(16-9)12-5-4-11(14-15-12)17(3)7-6-13(19)20/h4-5,8H,6-7H2,1-3H3,(H,19,20)
InChIKeyVNGCVFADEBSILN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.19
Rot. Bonds5

About 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid

3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid (PubChem CID 122059582) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
PubChem CID122059582
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
SMILESCc1cc(C)n(-c2ccc(N(C)CCC(=O)O)nn2)n1
InChIInChI=1S/C13H17N5O2/c1-9-8-10(2)18(16-9)12-5-4-11(14-15-12)17(3)7-6-13(19)20/h4-5,8H,6-7H2,1-3H3,(H,19,20)
InChIKeyVNGCVFADEBSILN-UHFFFAOYSA-N
XLogP1.19
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine
CID 112812658
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
CID 112818295
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 71791832
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477233
N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
CID 24600113
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid (CID 122059582) is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid is Cc1cc(C)n(-c2ccc(N(C)CCC(=O)O)nn2)n1.
What is the InChIKey of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid?
The InChIKey is VNGCVFADEBSILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-8-10(2)18(16-9)12-5-4-11(14-15-12)17(3)7-6-13(19)20/h4-5,8H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid?
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid is sourced from PubChem (CID 122059582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).