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

C16H25N5O2 — CID 23276153

IUPAC6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine
SMILESCOCCN(CCOC)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C16H25N5O2/c1-13-5-6-14(2)21(13)19-15-7-8-16(18-17-15)20(9-11-22-3)10-12-23-4/h5-8H,9-12H2,1-4H3,(H,17,19)
InChIKeyNHKXUXIGUHANDK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.87
Rot. Bonds9

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

6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine (PubChem CID 23276153) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine
PubChem CID23276153
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine
SMILESCOCCN(CCOC)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C16H25N5O2/c1-13-5-6-14(2)21(13)19-15-7-8-16(18-17-15)20(9-11-22-3)10-12-23-4/h5-8H,9-12H2,1-4H3,(H,17,19)
InChIKeyNHKXUXIGUHANDK-UHFFFAOYSA-N
XLogP1.87
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine?
The IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine (CID 23276153) is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine is COCCN(CCOC)c1ccc(Nn2c(C)ccc2C)nn1.
What is the InChIKey of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine?
The InChIKey is NHKXUXIGUHANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13-5-6-14(2)21(13)19-15-7-8-16(18-17-15)20(9-11-22-3)10-12-23-4/h5-8H,9-12H2,1-4H3,(H,17,19).
What are the key properties of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine?
6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine has a molecular weight of 319.41 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-bis(2-methoxyethyl)pyridazine-3,6-diamine is sourced from PubChem (CID 23276153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).