5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine

C13H21N5 — CID 76709020

IUPAC5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
SMILESNC1CCN(c2cnnc(NC3CCCC3)c2)C1
InChIInChI=1S/C13H21N5/c14-10-5-6-18(9-10)12-7-13(17-15-8-12)16-11-3-1-2-4-11/h7-8,10-11H,1-6,9,14H2,(H,16,17)
InChIKeyURNXYHXVALXHGH-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.37
Rot. Bonds3

About 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine

5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine (PubChem CID 76709020) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine.

Molecular Properties

Compound Name5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
PubChem CID76709020
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
SMILESNC1CCN(c2cnnc(NC3CCCC3)c2)C1
InChIInChI=1S/C13H21N5/c14-10-5-6-18(9-10)12-7-13(17-15-8-12)16-11-3-1-2-4-11/h7-8,10-11H,1-6,9,14H2,(H,16,17)
InChIKeyURNXYHXVALXHGH-UHFFFAOYSA-N
XLogP1.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminopyrrolidin-1-yl)-N-(cyclopentylmethyl)pyridazin-3-amine
CID 76709112
5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
CID 58227228
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
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
CID 130693092
N-[(1R)-1-cyclohexylethyl]-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227307
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
1-(5-methylpyridazin-3-yl)pyrrolidin-3-amine
CID 106550134
(3S)-1-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 130677279
N-cyclopropyl-5-methylpyridazin-3-amine
CID 106549432
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine?
The IUPAC name of 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine (CID 76709020) is 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine.
What is the SMILES notation for 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine?
The canonical SMILES for 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine is NC1CCN(c2cnnc(NC3CCCC3)c2)C1.
What is the InChIKey of 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine?
The InChIKey is URNXYHXVALXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c14-10-5-6-18(9-10)12-7-13(17-15-8-12)16-11-3-1-2-4-11/h7-8,10-11H,1-6,9,14H2,(H,16,17).
What are the key properties of 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine?
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine has a molecular weight of 247.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine is sourced from PubChem (CID 76709020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).