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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Related Compounds

CID 46891461
CID 46891461
(3H)A-585539
CID 23643135
N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
2-Methyl-5-(6-phenyl-pyridazin-3-yl)octahydro-pyrrolo(3,4-c)pyrrole
CID 11173546
(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089
A-582941 free base
CID 44190553
2-(111C)methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 44815470

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).