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

C9H13N5 — CID 171409156

IUPAC3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine
SMILESCC(C)(C)c1[nH]nc2cnnc(N)c12
InChIInChI=1S/C9H13N5/c1-9(2,3)7-6-5(12-13-7)4-11-14-8(6)10/h4H,1-3H3,(H2,10,14)(H,12,13)
InChIKeySLYUFIXNIXGSGM-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.23
Rot. Bonds

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

3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine (PubChem CID 171409156) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine
PubChem CID171409156
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine
SMILESCC(C)(C)c1[nH]nc2cnnc(N)c12
InChIInChI=1S/C9H13N5/c1-9(2,3)7-6-5(12-13-7)4-11-14-8(6)10/h4H,1-3H3,(H2,10,14)(H,12,13)
InChIKeySLYUFIXNIXGSGM-UHFFFAOYSA-N
XLogP1.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Aminopyrazolopyridazine
CID 69008809
Hydrazinopyrazolopyridazine
CID 129875757
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CID 17968312
3-methyl-2H-pyrazolo[3,4-c]pyridazine
CID 66999600
3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine
CID 90328659
3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine
CID 90328661
3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine
CID 90328664
5-pyridazin-4-yl-1H-pyrazole-3,4-diamine
CID 91133662
3-methyl-1H-pyrazolo[5,4-c]pyridazine
CID 91802017
3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine
CID 91869831
3-methyl-2H-pyrazolo[3,4-d]pyridazine
CID 117835368
4-(2H-1,2,3-triazol-2-yl)-1H-indazol-3-amine
CID 118046647

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine (CID 171409156) is 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine is CC(C)(C)c1[nH]nc2cnnc(N)c12.
What is the InChIKey of 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine?
The InChIKey is SLYUFIXNIXGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-9(2,3)7-6-5(12-13-7)4-11-14-8(6)10/h4H,1-3H3,(H2,10,14)(H,12,13).
What are the key properties of 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine?
3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-pyrazolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 171409156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).