N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine

C15H18N4 — CID 46225185

IUPACN-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H18N4/c1-16-13-9-10-19(11-13)15-8-7-14(17-18-15)12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3
InChIKeyKGOGXTQRTDJIHQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.94
Rot. Bonds3

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

N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (PubChem CID 46225185) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
PubChem CID46225185
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H18N4/c1-16-13-9-10-19(11-13)15-8-7-14(17-18-15)12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3
InChIKeyKGOGXTQRTDJIHQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (CID 46225185) is N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is CNC1CCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The InChIKey is KGOGXTQRTDJIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-13-9-10-19(11-13)15-8-7-14(17-18-15)12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3.
What are the key properties of N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine has a molecular weight of 254.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46225185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).