4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine

C7H6ClN3 — CID 129316467

IUPAC4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine
SMILESCc1[nH]cc2c(Cl)nncc12
InChIInChI=1S/C7H6ClN3/c1-4-5-3-10-11-7(8)6(5)2-9-4/h2-3,9H,1H3
InChIKeyVWHIBPQPCHVMKE-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine

4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine (PubChem CID 129316467) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine
PubChem CID129316467
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine
SMILESCc1[nH]cc2c(Cl)nncc12
InChIInChI=1S/C7H6ClN3/c1-4-5-3-10-11-7(8)6(5)2-9-4/h2-3,9H,1H3
InChIKeyVWHIBPQPCHVMKE-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine (CID 129316467) is 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine is Cc1[nH]cc2c(Cl)nncc12.
What is the InChIKey of 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine?
The InChIKey is VWHIBPQPCHVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-5-3-10-11-7(8)6(5)2-9-4/h2-3,9H,1H3.
What are the key properties of 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine?
4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine has a molecular weight of 167.60 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-6H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 129316467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).