3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine

C10H15N5 — CID 159029140

IUPAC3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine
SMILESCc1nn(C(C)C)c2c(C)nnc(N)c12
InChIInChI=1S/C10H15N5/c1-5(2)15-9-7(4)12-13-10(11)8(9)6(3)14-15/h5H,1-4H3,(H2,11,13)
InChIKeyWXOBLABCXLNIMR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds1

About 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine

3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine (PubChem CID 159029140) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine
PubChem CID159029140
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine
SMILESCc1nn(C(C)C)c2c(C)nnc(N)c12
InChIInChI=1S/C10H15N5/c1-5(2)15-9-7(4)12-13-10(11)8(9)6(3)14-15/h5H,1-4H3,(H2,11,13)
InChIKeyWXOBLABCXLNIMR-UHFFFAOYSA-N
XLogP1.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4,5-Trimethylpyrazolo[5,4-c]pyridazin-3-amine
CID 68652010
1-Methyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-3-amine
CID 69939963
1,3,7-Trimethylpyrrolo[2,3-d]pyridazin-4-amine
CID 89951940
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
2,3,4-Trimethylpyrazolo[3,4-d]pyridazin-7-amine
CID 142486239
N,N,3,4-tetramethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
CID 153432721
1,4,7-Trimethylpyrazolo[3,4-d]pyridazine
CID 153487606
1-Cyclopropyl-4,7-dimethylpyrazolo[3,4-d]pyridazine
CID 153487651
N,2,3,4-tetramethylpyrazolo[3,4-d]pyridazin-7-amine
CID 153503777
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

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine (CID 159029140) is 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine is Cc1nn(C(C)C)c2c(C)nnc(N)c12.
What is the InChIKey of 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine?
The InChIKey is WXOBLABCXLNIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-5(2)15-9-7(4)12-13-10(11)8(9)6(3)14-15/h5H,1-4H3,(H2,11,13).
What are the key properties of 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine?
3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 159029140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).