2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate

C8H8N5O2- — CID 7446930

IUPAC2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
SMILESCc1nnc2ccc(NCC(=O)[O-])nn12
InChIInChI=1S/C8H9N5O2/c1-5-10-11-7-3-2-6(12-13(5)7)9-4-8(14)15/h2-3H,4H2,1H3,(H,9,12)(H,14,15)/p-1
InChIKeyNPPHDKAKVLGDMH-UHFFFAOYSA-M
MW206.19 g/mol
LogP-1.41
Rot. Bonds3

About 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate (PubChem CID 7446930) has the molecular formula C8H8N5O2- and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate.

Molecular Properties

Compound Name2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
PubChem CID7446930
Molecular FormulaC8H8N5O2-
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
SMILESCc1nnc2ccc(NCC(=O)[O-])nn12
InChIInChI=1S/C8H9N5O2/c1-5-10-11-7-3-2-6(12-13(5)7)9-4-8(14)15/h2-3H,4H2,1H3,(H,9,12)(H,14,15)/p-1
InChIKeyNPPHDKAKVLGDMH-UHFFFAOYSA-M
XLogP-1.41
TPSA95.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985
N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
CID 95851482
N-[2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]furan-2-carboxamide
CID 60520977
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azaniumyl]acetate
CID 28946697
1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
CID 133415348
methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305834
2-[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 84674904
N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 96562884
3-methyl-N-[(4-phenylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133397227
4-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pentan-1-ol
CID 71870907
N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133395316

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate?
The IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate (CID 7446930) is 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate.
What is the SMILES notation for 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate?
The canonical SMILES for 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate is Cc1nnc2ccc(NCC(=O)[O-])nn12.
What is the InChIKey of 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate?
The InChIKey is NPPHDKAKVLGDMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9N5O2/c1-5-10-11-7-3-2-6(12-13(5)7)9-4-8(14)15/h2-3H,4H2,1H3,(H,9,12)(H,14,15)/p-1.
What are the key properties of 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate?
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate has a molecular weight of 206.19 g/mol, XLogP of -1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate is sourced from PubChem (CID 7446930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).