3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine

C10H13N3 — CID 118640136

IUPAC3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine
SMILESCCCc1cc2cc(C)nnc2[nH]1
InChIInChI=1S/C10H13N3/c1-3-4-9-6-8-5-7(2)12-13-10(8)11-9/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyXVKLFRXUIAFKLU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.22
Rot. Bonds2

About 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine

3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine (PubChem CID 118640136) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine
PubChem CID118640136
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine
SMILESCCCc1cc2cc(C)nnc2[nH]1
InChIInChI=1S/C10H13N3/c1-3-4-9-6-8-5-7(2)12-13-10(8)11-9/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyXVKLFRXUIAFKLU-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine (CID 118640136) is 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine is CCCc1cc2cc(C)nnc2[nH]1.
What is the InChIKey of 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is XVKLFRXUIAFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-9-6-8-5-7(2)12-13-10(8)11-9/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine?
3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 175.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 118640136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).