2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine

C12H17N3 — CID 59016891

IUPAC2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine
SMILESCc1nn2c(C)c(C)c(N)c2c(C)c1C
InChIInChI=1S/C12H17N3/c1-6-7(2)12-11(13)8(3)10(5)15(12)14-9(6)4/h13H2,1-5H3
InChIKeyCNYJJQISZOEXDU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.46
Rot. Bonds

About 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine

2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine (PubChem CID 59016891) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine.

Molecular Properties

Compound Name2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine
PubChem CID59016891
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine
SMILESCc1nn2c(C)c(C)c(N)c2c(C)c1C
InChIInChI=1S/C12H17N3/c1-6-7(2)12-11(13)8(3)10(5)15(12)14-9(6)4/h13H2,1-5H3
InChIKeyCNYJJQISZOEXDU-UHFFFAOYSA-N
XLogP2.46
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine?
The IUPAC name of 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine (CID 59016891) is 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine.
What is the SMILES notation for 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine?
The canonical SMILES for 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine is Cc1nn2c(C)c(C)c(N)c2c(C)c1C.
What is the InChIKey of 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine?
The InChIKey is CNYJJQISZOEXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-7(2)12-11(13)8(3)10(5)15(12)14-9(6)4/h13H2,1-5H3.
What are the key properties of 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine?
2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7-pentamethylpyrrolo[1,2-b]pyridazin-5-amine is sourced from PubChem (CID 59016891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).