6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine

C12H17N5 — CID 23274490

IUPAC6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine
SMILESCc1ccc(C)n1Nc1ccc(N(C)C)nn1
InChIInChI=1S/C12H17N5/c1-9-5-6-10(2)17(9)15-11-7-8-12(14-13-11)16(3)4/h5-8H,1-4H3,(H,13,15)
InChIKeyJYKIDGOZMWJQHD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds3

About 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine

6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine (PubChem CID 23274490) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine
PubChem CID23274490
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine
SMILESCc1ccc(C)n1Nc1ccc(N(C)C)nn1
InChIInChI=1S/C12H17N5/c1-9-5-6-10(2)17(9)15-11-7-8-12(14-13-11)16(3)4/h5-8H,1-4H3,(H,13,15)
InChIKeyJYKIDGOZMWJQHD-UHFFFAOYSA-N
XLogP1.84
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine?
The IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine (CID 23274490) is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine is Cc1ccc(C)n1Nc1ccc(N(C)C)nn1.
What is the InChIKey of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine?
The InChIKey is JYKIDGOZMWJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-5-6-10(2)17(9)15-11-7-8-12(14-13-11)16(3)4/h5-8H,1-4H3,(H,13,15).
What are the key properties of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine?
6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-dimethylpyridazine-3,6-diamine is sourced from PubChem (CID 23274490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).