1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine

C9H13N3 — CID 174263206

IUPAC1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1CN(C)C2
InChIInChI=1S/C9H13N3/c1-6-8-4-12(3)5-9(8)7(2)11-10-6/h4-5H2,1-3H3
InChIKeyRZXWPALYJXAAAO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.04
Rot. Bonds

About 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine

1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine (PubChem CID 174263206) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
PubChem CID174263206
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1CN(C)C2
InChIInChI=1S/C9H13N3/c1-6-8-4-12(3)5-9(8)7(2)11-10-6/h4-5H2,1-3H3
InChIKeyRZXWPALYJXAAAO-UHFFFAOYSA-N
XLogP1.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine (CID 174263206) is 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c1CN(C)C2.
What is the InChIKey of 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine?
The InChIKey is RZXWPALYJXAAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-8-4-12(3)5-9(8)7(2)11-10-6/h4-5H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine?
1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 174263206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).