N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine

C14H16N4 — CID 6459576

IUPACN-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine
SMILESc1ccc(Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C14H16N4/c1-2-6-12(7-3-1)15-13-8-9-14(17-16-13)18-10-4-5-11-18/h1-3,6-9H,4-5,10-11H2,(H,15,16)
InChIKeyQIIHVKQVNCDDGO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.82
Rot. Bonds3

About N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine

N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine (PubChem CID 6459576) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine
PubChem CID6459576
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine
SMILESc1ccc(Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C14H16N4/c1-2-6-12(7-3-1)15-13-8-9-14(17-16-13)18-10-4-5-11-18/h1-3,6-9H,4-5,10-11H2,(H,15,16)
InChIKeyQIIHVKQVNCDDGO-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine?
The IUPAC name of N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine (CID 6459576) is N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine?
The canonical SMILES for N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine is c1ccc(Nc2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine?
The InChIKey is QIIHVKQVNCDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-6-12(7-3-1)15-13-8-9-14(17-16-13)18-10-4-5-11-18/h1-3,6-9H,4-5,10-11H2,(H,15,16).
What are the key properties of N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine?
N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine has a molecular weight of 240.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-pyrrolidin-1-ylpyridazin-3-amine is sourced from PubChem (CID 6459576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).