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

C14H21N5 — CID 23275068

IUPAC6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine
SMILESCCN(CC)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C14H21N5/c1-5-18(6-2)14-10-9-13(15-16-14)17-19-11(3)7-8-12(19)4/h7-10H,5-6H2,1-4H3,(H,15,17)
InChIKeyKFQWBKCCENKKLA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.62
Rot. Bonds5

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

6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine (PubChem CID 23275068) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine
PubChem CID23275068
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine
SMILESCCN(CC)c1ccc(Nn2c(C)ccc2C)nn1
InChIInChI=1S/C14H21N5/c1-5-18(6-2)14-10-9-13(15-16-14)17-19-11(3)7-8-12(19)4/h7-10H,5-6H2,1-4H3,(H,15,17)
InChIKeyKFQWBKCCENKKLA-UHFFFAOYSA-N
XLogP2.62
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine?
The IUPAC name of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine (CID 23275068) is 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine is CCN(CC)c1ccc(Nn2c(C)ccc2C)nn1.
What is the InChIKey of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine?
The InChIKey is KFQWBKCCENKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-18(6-2)14-10-9-13(15-16-14)17-19-11(3)7-8-12(19)4/h7-10H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine?
6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethylpyrrol-1-yl)-3-N,3-N-diethylpyridazine-3,6-diamine is sourced from PubChem (CID 23275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).