7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine

C9H10ClN3 — CID 54191745

IUPAC7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
SMILESCc1c(C)n(C)c2c(Cl)nncc12
InChIInChI=1S/C9H10ClN3/c1-5-6(2)13(3)8-7(5)4-11-12-9(8)10/h4H,1-3H3
InChIKeyPIZHEYSHENJOAY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.24
Rot. Bonds

About 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine

7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine (PubChem CID 54191745) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
PubChem CID54191745
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine
SMILESCc1c(C)n(C)c2c(Cl)nncc12
InChIInChI=1S/C9H10ClN3/c1-5-6(2)13(3)8-7(5)4-11-12-9(8)10/h4H,1-3H3
InChIKeyPIZHEYSHENJOAY-UHFFFAOYSA-N
XLogP2.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The IUPAC name of 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine (CID 54191745) is 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The canonical SMILES for 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine is Cc1c(C)n(C)c2c(Cl)nncc12.
What is the InChIKey of 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
The InChIKey is PIZHEYSHENJOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-5-6(2)13(3)8-7(5)4-11-12-9(8)10/h4H,1-3H3.
What are the key properties of 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine?
7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine has a molecular weight of 195.65 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2,3-trimethylpyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 54191745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).