N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine

C13H16N4S — CID 116973478

IUPACN-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2cccs2)nn1)C1CCNC1
InChIInChI=1S/C13H16N4S/c1-17(10-6-7-14-9-10)13-5-4-11(15-16-13)12-3-2-8-18-12/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyBXAWOMMIAPYOEA-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.00
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine

N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine (PubChem CID 116973478) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
PubChem CID116973478
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2cccs2)nn1)C1CCNC1
InChIInChI=1S/C13H16N4S/c1-17(10-6-7-14-9-10)13-5-4-11(15-16-13)12-3-2-8-18-12/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyBXAWOMMIAPYOEA-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine (CID 116973478) is N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine is CN(c1ccc(-c2cccs2)nn1)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine?
The InChIKey is BXAWOMMIAPYOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-17(10-6-7-14-9-10)13-5-4-11(15-16-13)12-3-2-8-18-12/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine?
N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine has a molecular weight of 260.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine is sourced from PubChem (CID 116973478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).