N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine

C16H20N4 — CID 46225102

IUPACN,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H20N4/c1-19(2)14-10-11-20(12-14)16-9-8-15(17-18-16)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3
InChIKeyHTERZDRXYCFQHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.28
Rot. Bonds3

About N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (PubChem CID 46225102) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
PubChem CID46225102
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H20N4/c1-19(2)14-10-11-20(12-14)16-9-8-15(17-18-16)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3
InChIKeyHTERZDRXYCFQHS-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (CID 46225102) is N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is CN(C)C1CCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The InChIKey is HTERZDRXYCFQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19(2)14-10-11-20(12-14)16-9-8-15(17-18-16)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46225102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).