N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine

C16H20N4 — CID 116973535

IUPACN-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCNC1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H20N4/c1-20(12-13-9-10-17-11-13)16-8-7-15(18-19-16)14-5-3-2-4-6-14/h2-8,13,17H,9-12H2,1H3
InChIKeySEFLWKUODRNRJD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.19
Rot. Bonds4

About N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine

N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine (PubChem CID 116973535) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
PubChem CID116973535
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCNC1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H20N4/c1-20(12-13-9-10-17-11-13)16-8-7-15(18-19-16)14-5-3-2-4-6-14/h2-8,13,17H,9-12H2,1H3
InChIKeySEFLWKUODRNRJD-UHFFFAOYSA-N
XLogP2.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
6-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973542
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
CID 116973502
6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 167857979
6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 71642379
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642240
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine (CID 116973535) is N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine is CN(CC1CCNC1)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is SEFLWKUODRNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(12-13-9-10-17-11-13)16-8-7-15(18-19-16)14-5-3-2-4-6-14/h2-8,13,17H,9-12H2,1H3.
What are the key properties of N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine?
N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 116973535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).