2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine

C11H19N7 — CID 42959991

IUPAC2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNc1ccc2nnnn2n1
InChIInChI=1S/C11H19N7/c1-4-17(5-2)9(3)8-12-10-6-7-11-13-15-16-18(11)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14)
InChIKeyWMNSZYXVFVWYQR-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.66
Rot. Bonds6

About 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine (PubChem CID 42959991) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine
PubChem CID42959991
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNc1ccc2nnnn2n1
InChIInChI=1S/C11H19N7/c1-4-17(5-2)9(3)8-12-10-6-7-11-13-15-16-18(11)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14)
InChIKeyWMNSZYXVFVWYQR-UHFFFAOYSA-N
XLogP0.66
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine (CID 42959991) is 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine is CCN(CC)C(C)CNc1ccc2nnnn2n1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine?
The InChIKey is WMNSZYXVFVWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-4-17(5-2)9(3)8-12-10-6-7-11-13-15-16-18(11)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14).
What are the key properties of 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 42959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).