(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine

C13H21ClN4 — CID 167504088

IUPAC(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN([C@@H]1CCN(c2ccc(Cl)nn2)C1)C(C)(C)C
InChIInChI=1S/C13H21ClN4/c1-13(2,3)17(4)10-7-8-18(9-10)12-6-5-11(14)15-16-12/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1
InChIKeyHERACZPTWQBTKV-SNVBAGLBSA-N
MW268.79 g/mol
LogP2.44
Rot. Bonds2

About (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine

(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine (PubChem CID 167504088) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
PubChem CID167504088
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
SMILESCN([C@@H]1CCN(c2ccc(Cl)nn2)C1)C(C)(C)C
InChIInChI=1S/C13H21ClN4/c1-13(2,3)17(4)10-7-8-18(9-10)12-6-5-11(14)15-16-12/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1
InChIKeyHERACZPTWQBTKV-SNVBAGLBSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3-fluorocyclobutyl)carbamate
CID 167503935
6-(6-chloropyridazin-3-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199920
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3,3-difluorocyclobutyl)carbamate
CID 167504022
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165035
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
CID 131113638

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine (CID 167504088) is (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine is CN([C@@H]1CCN(c2ccc(Cl)nn2)C1)C(C)(C)C.
What is the InChIKey of (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is HERACZPTWQBTKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-13(2,3)17(4)10-7-8-18(9-10)12-6-5-11(14)15-16-12/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine?
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 167504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).