N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride

C14H20ClN5O — CID 50986718

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride
SMILESCc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1.[Cl-].[H+]
InChIInChI=1S/C14H19N5O.ClH/c1-11-3-4-12(2)19(11)17-13-5-6-14(16-15-13)18-7-9-20-10-8-18;/h3-6H,7-10H2,1-2H3,(H,15,17);1H
InChIKeyIHQNCEYNGSNDAD-UHFFFAOYSA-N
MW309.80 g/mol
LogP-1.28
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride

N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride (PubChem CID 50986718) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride
PubChem CID50986718
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride
SMILESCc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1.[Cl-].[H+]
InChIInChI=1S/C14H19N5O.ClH/c1-11-3-4-12(2)19(11)17-13-5-6-14(16-15-13)18-7-9-20-10-8-18;/h3-6H,7-10H2,1-2H3,(H,15,17);1H
InChIKeyIHQNCEYNGSNDAD-UHFFFAOYSA-N
XLogP-1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride (CID 50986718) is N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride is Cc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1.[Cl-].[H+].
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride?
The InChIKey is IHQNCEYNGSNDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-11-3-4-12(2)19(11)17-13-5-6-14(16-15-13)18-7-9-20-10-8-18;/h3-6H,7-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride?
N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride has a molecular weight of 309.80 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-morpholin-4-ylpyridazin-3-amine;hydron;chloride is sourced from PubChem (CID 50986718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).