2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid

C14H17N7O2 — CID 146141777

IUPAC2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C)c1nnc2ccc(Nc3cnn(CC(=O)O)c3)nn12
InChIInChI=1S/C14H17N7O2/c1-14(2,3)13-18-17-11-5-4-10(19-21(11)13)16-9-6-15-20(7-9)8-12(22)23/h4-7H,8H2,1-3H3,(H,16,19)(H,22,23)
InChIKeyJTHXYKFYLQITLA-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid

2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid (PubChem CID 146141777) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid
PubChem CID146141777
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C)c1nnc2ccc(Nc3cnn(CC(=O)O)c3)nn12
InChIInChI=1S/C14H17N7O2/c1-14(2,3)13-18-17-11-5-4-10(19-21(11)13)16-9-6-15-20(7-9)8-12(22)23/h4-7H,8H2,1-3H3,(H,16,19)(H,22,23)
InChIKeyJTHXYKFYLQITLA-UHFFFAOYSA-N
XLogP1.45
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167759933
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
3-tert-butyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488896
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
3-tert-butyl-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488234
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
CID 178079413
2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid
CID 129246813
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488471

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid (CID 146141777) is 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid is CC(C)(C)c1nnc2ccc(Nc3cnn(CC(=O)O)c3)nn12.
What is the InChIKey of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is JTHXYKFYLQITLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-14(2,3)13-18-17-11-5-4-10(19-21(11)13)16-9-6-15-20(7-9)8-12(22)23/h4-7H,8H2,1-3H3,(H,16,19)(H,22,23).
What are the key properties of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 315.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 146141777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).