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

C10H15N5 — CID 178177455

IUPAC3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCc1nn(C(C)C)c2c(N)nncc12
InChIInChI=1S/C10H15N5/c1-4-8-7-5-12-13-10(11)9(7)15(14-8)6(2)3/h5-6H,4H2,1-3H3,(H2,11,13)
InChIKeyIHHSAHFAOAWHDW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.55
Rot. Bonds2

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

3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 178177455) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine
PubChem CID178177455
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine
SMILESCCc1nn(C(C)C)c2c(N)nncc12
InChIInChI=1S/C10H15N5/c1-4-8-7-5-12-13-10(11)9(7)15(14-8)6(2)3/h5-6H,4H2,1-3H3,(H2,11,13)
InChIKeyIHHSAHFAOAWHDW-UHFFFAOYSA-N
XLogP1.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
CID 156792933
5-ethyl-3-propan-2-ylimidazol-4-amine
CID 62076644
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115
3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
CID 153441794
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine
CID 178177107
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
CID 153416742
4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
CID 153415039
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153416741
4-ethyl-5-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-yltriazole
CID 87804619
1-(3-propan-2-yltriazol-4-yl)butan-2-one
CID 130356606

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine (CID 178177455) is 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine is CCc1nn(C(C)C)c2c(N)nncc12.
What is the InChIKey of 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is IHHSAHFAOAWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-8-7-5-12-13-10(11)9(7)15(14-8)6(2)3/h5-6H,4H2,1-3H3,(H2,11,13).
What are the key properties of 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine?
3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 205.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 178177455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).