5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine

C18H31N5 — CID 130321688

IUPAC5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
SMILESCC1CCC(CC(C)CNc2cc(N3CC[C@@H](N)C3)cnn2)C1
InChIInChI=1S/C18H31N5/c1-13-3-4-15(7-13)8-14(2)10-20-18-9-17(11-21-22-18)23-6-5-16(19)12-23/h9,11,13-16H,3-8,10,12,19H2,1-2H3,(H,20,22)/t13?,14?,15?,16-/m1/s1
InChIKeyIHBNRKSQGIHKIU-LGGPCSOHSA-N
MW317.48 g/mol
LogP2.89
Rot. Bonds6

About 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine (PubChem CID 130321688) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
PubChem CID130321688
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
SMILESCC1CCC(CC(C)CNc2cc(N3CC[C@@H](N)C3)cnn2)C1
InChIInChI=1S/C18H31N5/c1-13-3-4-15(7-13)8-14(2)10-20-18-9-17(11-21-22-18)23-6-5-16(19)12-23/h9,11,13-16H,3-8,10,12,19H2,1-2H3,(H,20,22)/t13?,14?,15?,16-/m1/s1
InChIKeyIHBNRKSQGIHKIU-LGGPCSOHSA-N
XLogP2.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
CID 58227228
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-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
CID 76709020
1-(5-methylpyridazin-3-yl)pyrrolidin-3-amine
CID 106550134
3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
CID 114478162
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
N-[(3-aminocyclopentyl)methyl]-5-methylpyridazin-3-amine
CID 106127034
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
N-[(1R)-1-cyclohexylethyl]-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227307
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine?
The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine (CID 130321688) is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine is CC1CCC(CC(C)CNc2cc(N3CC[C@@H](N)C3)cnn2)C1.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine?
The InChIKey is IHBNRKSQGIHKIU-LGGPCSOHSA-N. The full InChI is InChI=1S/C18H31N5/c1-13-3-4-15(7-13)8-14(2)10-20-18-9-17(11-21-22-18)23-6-5-16(19)12-23/h9,11,13-16H,3-8,10,12,19H2,1-2H3,(H,20,22)/t13?,14?,15?,16-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine?
5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine has a molecular weight of 317.48 g/mol, XLogP of 2.89, 6 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-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine is sourced from PubChem (CID 130321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).