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

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N-benzyl-N'-(3-methylphenyl)pyridazine-3,6-diamine
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N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
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N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
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N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
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N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
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3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
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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).