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

C14H21N5O — CID 23275403

IUPAC6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine
SMILESCOCCN(C)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C14H21N5O/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18(3)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,15,17)
InChIKeyVTHNHRQUOWOYGO-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.85
Rot. Bonds6

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

6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine (PubChem CID 23275403) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine
PubChem CID23275403
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine
SMILESCOCCN(C)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C14H21N5O/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18(3)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,15,17)
InChIKeyVTHNHRQUOWOYGO-UHFFFAOYSA-N
XLogP1.85
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-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-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine?
The IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine (CID 23275403) is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine is COCCN(C)c1ccc(Nn2c(C)ccc2C)nn1.
What is the InChIKey of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine?
The InChIKey is VTHNHRQUOWOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18(3)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,15,17).
What are the key properties of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine?
6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2-methoxyethyl)-3-N-methylpyridazine-3,6-diamine is sourced from PubChem (CID 23275403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).