N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine

C14H19N5 — CID 23275054

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H19N5/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCCNHQLVHFQKOGW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine

N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine (PubChem CID 23275054) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine
PubChem CID23275054
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H19N5/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCCNHQLVHFQKOGW-UHFFFAOYSA-N
XLogP2.37
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine 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 N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine (CID 23275054) is N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine is Cc1ccc(C)n1Nc1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine?
The InChIKey is CCNHQLVHFQKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-5-6-12(2)19(11)17-13-7-8-14(16-15-13)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-pyrrolidin-1-ylpyridazin-3-amine is sourced from PubChem (CID 23275054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).