5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine

C12H21N5 — CID 58227228

IUPAC5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
SMILESCCCCNc1cc(N2CC[C@@H](N)C2)cnn1
InChIInChI=1S/C12H21N5/c1-2-3-5-14-12-7-11(8-15-16-12)17-6-4-10(13)9-17/h7-8,10H,2-6,9,13H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyKGUAKOJZXYPVBY-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds5

About 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine (PubChem CID 58227228) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
PubChem CID58227228
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
SMILESCCCCNc1cc(N2CC[C@@H](N)C2)cnn1
InChIInChI=1S/C12H21N5/c1-2-3-5-14-12-7-11(8-15-16-12)17-6-4-10(13)9-17/h7-8,10H,2-6,9,13H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyKGUAKOJZXYPVBY-SNVBAGLBSA-N
XLogP1.23
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
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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Related Compounds

5-(3-aminopyrrolidin-1-yl)-N-(cyclopentylmethyl)pyridazin-3-amine
CID 76709112
5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 76709057
5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
CID 130321688
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine
CID 76709105
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
CID 76709020
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
CID 87167805
CID 87167805
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 58227177
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
1-(5-methylpyridazin-3-yl)pyrrolidin-3-amine
CID 106550134
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine?
The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine (CID 58227228) is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine is CCCCNc1cc(N2CC[C@@H](N)C2)cnn1.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine?
The InChIKey is KGUAKOJZXYPVBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-3-5-14-12-7-11(8-15-16-12)17-6-4-10(13)9-17/h7-8,10H,2-6,9,13H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine?
5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine is sourced from PubChem (CID 58227228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).