3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine

C12H18N4 — CID 159316252

IUPAC3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine
SMILESCc1nnc2c(C(C)C)c(C)n(C)c2c1N
InChIInChI=1S/C12H18N4/c1-6(2)9-8(4)16(5)12-10(13)7(3)14-15-11(9)12/h6H,1-5H3,(H2,13,15)
InChIKeyMSELTJFITOCRAA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds1

About 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine

3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine (PubChem CID 159316252) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine.

Molecular Properties

Compound Name3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine
PubChem CID159316252
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine
SMILESCc1nnc2c(C(C)C)c(C)n(C)c2c1N
InChIInChI=1S/C12H18N4/c1-6(2)9-8(4)16(5)12-10(13)7(3)14-15-11(9)12/h6H,1-5H3,(H2,13,15)
InChIKeyMSELTJFITOCRAA-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine?
The IUPAC name of 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine (CID 159316252) is 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine.
What is the SMILES notation for 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine?
The canonical SMILES for 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine is Cc1nnc2c(C(C)C)c(C)n(C)c2c1N.
What is the InChIKey of 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine?
The InChIKey is MSELTJFITOCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-6(2)9-8(4)16(5)12-10(13)7(3)14-15-11(9)12/h6H,1-5H3,(H2,13,15).
What are the key properties of 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine?
3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-7-propan-2-ylpyrrolo[3,2-c]pyridazin-4-amine is sourced from PubChem (CID 159316252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).