6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine

C18H20N4 — CID 143575918

IUPAC6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESC#CCN1CCCC1CNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H20N4/c1-2-12-22-13-6-9-16(22)14-19-18-11-10-17(20-21-18)15-7-4-3-5-8-15/h1,3-5,7-8,10-11,16H,6,9,12-14H2,(H,19,21)
InChIKeyJVWUKBYSZJBWGK-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.65
Rot. Bonds5

About 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine

6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine (PubChem CID 143575918) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
PubChem CID143575918
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESC#CCN1CCCC1CNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H20N4/c1-2-12-22-13-6-9-16(22)14-19-18-11-10-17(20-21-18)15-7-4-3-5-8-15/h1,3-5,7-8,10-11,16H,6,9,12-14H2,(H,19,21)
InChIKeyJVWUKBYSZJBWGK-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
CID 134705653
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
CID 59867538
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
CID 133304440
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133399616
N-[(1-benzylpiperidin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133274813
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166296830
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
CID 58780771
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine (CID 143575918) is 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine is C#CCN1CCCC1CNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The InChIKey is JVWUKBYSZJBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-12-22-13-6-9-16(22)14-19-18-11-10-17(20-21-18)15-7-4-3-5-8-15/h1,3-5,7-8,10-11,16H,6,9,12-14H2,(H,19,21).
What are the key properties of 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine has a molecular weight of 292.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 143575918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).