2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

C8H11N5 — CID 142486239

IUPAC2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N)c2nn(C)c(C)c12
InChIInChI=1S/C8H11N5/c1-4-6-5(2)13(3)12-7(6)8(9)11-10-4/h1-3H3,(H2,9,11)
InChIKeyKCXKSPHNBDZBCT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds

About 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine

2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 142486239) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID142486239
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N)c2nn(C)c(C)c12
InChIInChI=1S/C8H11N5/c1-4-6-5(2)13(3)12-7(6)8(9)11-10-4/h1-3H3,(H2,9,11)
InChIKeyKCXKSPHNBDZBCT-UHFFFAOYSA-N
XLogP0.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-amine
CID 6481190
1,4,5-Trimethylpyrazolo[5,4-c]pyridazin-3-amine
CID 68652010
1,7-Dimethylpyrazolo[4,3-c]pyridine-3,4,6-triamine
CID 141806400
Ethane;1,3,6,7-tetramethylpyrazolo[4,5-c]pyridazine
CID 142348079
N,N,3,4-tetramethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
CID 153432721
N,2,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 153503777
3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
CID 155245141
3-Ethyl-1,6-dimethyl-7-propylpyrazolo[4,5-c]pyridazine
CID 163424828
7-Ethyl-1,3,4-trimethylpyrazolo[3,4-d]pyridazine
CID 163561282
7-Ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine
CID 163971883
1,3,4,7-Tetramethylpyrazolo[3,4-d]pyridazine
CID 164035646
1,7-Dimethyl-3,4-di(propan-2-yl)pyrazolo[3,4-d]pyridazine
CID 170416228

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine (CID 142486239) is 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is Cc1nnc(N)c2nn(C)c(C)c12.
What is the InChIKey of 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is KCXKSPHNBDZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-4-6-5(2)13(3)12-7(6)8(9)11-10-4/h1-3H3,(H2,9,11).
What are the key properties of 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine?
2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 177.21 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 142486239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).