3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine

C10H15N5 — CID 167102443

IUPAC3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
SMILESCCCCc1[nH]nc2c(N)nnc(C)c12
InChIInChI=1S/C10H15N5/c1-3-4-5-7-8-6(2)12-15-10(11)9(8)14-13-7/h3-5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeySTSVTODAGZPJJX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds3

About 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine

3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 167102443) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
PubChem CID167102443
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
SMILESCCCCc1[nH]nc2c(N)nnc(C)c12
InChIInChI=1S/C10H15N5/c1-3-4-5-7-8-6(2)12-15-10(11)9(8)14-13-7/h3-5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeySTSVTODAGZPJJX-UHFFFAOYSA-N
XLogP1.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538880
7-Benzyl-3,4-dimethyl-1H-pyrazolo(3,4-d)pyridazine
CID 325426
1H-Pyrazolo[3,4-c]pyridazin-3-amine, 4,5-dimethyl-
CID 72043465
6,7-dimethyl-3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridazine
CID 91869898
6,7-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridazine
CID 90906374
7-[(E)-but-2-enyl]-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 5807607
4-Hydrazino-7-methyl-1H-1,2,3-triazolo(4,5-d)pyridazine
CID 596646
7-methyl-2H-triazolo[4,5-d]pyridazin-4-amine
CID 129933603
N,N,3,4-tetramethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
CID 153432721
3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
CID 155245141
4,7-dimethyl-2H-pyrazolo[3,4-d]pyridazin-1-ium-1,3-diamine
CID 164083475
3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine
CID 171409156

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine (CID 167102443) is 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine is CCCCc1[nH]nc2c(N)nnc(C)c12.
What is the InChIKey of 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is STSVTODAGZPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-4-5-7-8-6(2)12-15-10(11)9(8)14-13-7/h3-5H2,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine has a molecular weight of 205.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-2H-pyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 167102443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).