1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine

C8H11N5 — CID 68652010

IUPAC1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine
SMILESCc1nnc2c(c(N)nn2C)c1C
InChIInChI=1S/C8H11N5/c1-4-5(2)10-11-8-6(4)7(9)12-13(8)3/h1-3H3,(H2,9,12)
InChIKeyFBQIKIFMPOUIAG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds

About 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine

1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine (PubChem CID 68652010) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine
PubChem CID68652010
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine
SMILESCc1nnc2c(c(N)nn2C)c1C
InChIInChI=1S/C8H11N5/c1-4-5(2)10-11-8-6(4)7(9)12-13(8)3/h1-3H3,(H2,9,12)
InChIKeyFBQIKIFMPOUIAG-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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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine?
The IUPAC name of 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine (CID 68652010) is 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine.
What is the SMILES notation for 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine?
The canonical SMILES for 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine is Cc1nnc2c(c(N)nn2C)c1C.
What is the InChIKey of 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine?
The InChIKey is FBQIKIFMPOUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-4-5(2)10-11-8-6(4)7(9)12-13(8)3/h1-3H3,(H2,9,12).
What are the key properties of 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine?
1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-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 1,4,5-trimethylpyrazolo[5,4-c]pyridazin-3-amine is sourced from PubChem (CID 68652010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).