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

C15H21N5O — CID 23275685

IUPACN-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine
SMILESCc1ccc(C)n1N(C)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H21N5O/c1-12-4-5-13(2)20(12)18(3)14-6-7-15(17-16-14)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3
InChIKeyCIFHXAFCNLSMAM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.63
Rot. Bonds3

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

N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine (PubChem CID 23275685) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine
PubChem CID23275685
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine
SMILESCc1ccc(C)n1N(C)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H21N5O/c1-12-4-5-13(2)20(12)18(3)14-6-7-15(17-16-14)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3
InChIKeyCIFHXAFCNLSMAM-UHFFFAOYSA-N
XLogP1.63
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine (CID 23275685) is N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine is Cc1ccc(C)n1N(C)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine?
The InChIKey is CIFHXAFCNLSMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-4-5-13(2)20(12)18(3)14-6-7-15(17-16-14)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine has a molecular weight of 287.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-N-methyl-6-morpholin-4-ylpyridazin-3-amine is sourced from PubChem (CID 23275685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).