N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C13H23N5 — CID 58227362

IUPACN-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCCCCNc1cc(N2CC[C@@H](NC)C2)cnn1
InChIInChI=1S/C13H23N5/c1-3-4-6-15-13-8-12(9-16-17-13)18-7-5-11(10-18)14-2/h8-9,11,14H,3-7,10H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyPOUWOKAIFUGAOQ-LLVKDONJSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds6

About N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 58227362) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID58227362
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCCCCNc1cc(N2CC[C@@H](NC)C2)cnn1
InChIInChI=1S/C13H23N5/c1-3-4-6-15-13-8-12(9-16-17-13)18-7-5-11(10-18)14-2/h8-9,11,14H,3-7,10H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyPOUWOKAIFUGAOQ-LLVKDONJSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 58227362) is N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CCCCNc1cc(N2CC[C@@H](NC)C2)cnn1.
What is the InChIKey of N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is POUWOKAIFUGAOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-6-15-13-8-12(9-16-17-13)18-7-5-11(10-18)14-2/h8-9,11,14H,3-7,10H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 58227362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).