N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine

C12H15N7S — CID 16582443

IUPACN,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1ccc2nnnn2n1)c1cccs1
InChIInChI=1S/C12H15N7S/c1-18(2)9(10-4-3-7-20-10)8-13-11-5-6-12-14-16-17-19(12)15-11/h3-7,9H,8H2,1-2H3,(H,13,15)
InChIKeyWCDIDERPZSIQCB-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.30
Rot. Bonds5

About N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 16582443) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID16582443
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1ccc2nnnn2n1)c1cccs1
InChIInChI=1S/C12H15N7S/c1-18(2)9(10-4-3-7-20-10)8-13-11-5-6-12-14-16-17-19(12)15-11/h3-7,9H,8H2,1-2H3,(H,13,15)
InChIKeyWCDIDERPZSIQCB-UHFFFAOYSA-N
XLogP1.30
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 16582443) is N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNc1ccc2nnnn2n1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is WCDIDERPZSIQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-18(2)9(10-4-3-7-20-10)8-13-11-5-6-12-14-16-17-19(12)15-11/h3-7,9H,8H2,1-2H3,(H,13,15).
What are the key properties of N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 289.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 16582443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).