tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate

C13H19ClN4O2 — CID 118542732

IUPACtert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]1(c2ccc(Cl)nn2)CCNC1
InChIInChI=1S/C13H19ClN4O2/c1-12(2,3)20-11(19)16-13(6-7-15-8-13)9-4-5-10(14)18-17-9/h4-5,15H,6-8H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyOUOARCLTCIRJFR-CYBMUJFWSA-N
MW298.77 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate (PubChem CID 118542732) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
PubChem CID118542732
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Nametert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]1(c2ccc(Cl)nn2)CCNC1
InChIInChI=1S/C13H19ClN4O2/c1-12(2,3)20-11(19)16-13(6-7-15-8-13)9-4-5-10(14)18-17-9/h4-5,15H,6-8H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyOUOARCLTCIRJFR-CYBMUJFWSA-N
XLogP1.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129188383
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 86716672
tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
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tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
CID 166161006
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
tert-butyl N-(2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)carbamate
CID 171624143
tert-butyl N-[1-(2-formyl-1H-pyrrolo[2,3-b]pyridin-6-yl)cyclopropyl]carbamate
CID 167290510
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate (CID 118542732) is tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@]1(c2ccc(Cl)nn2)CCNC1.
What is the InChIKey of tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is OUOARCLTCIRJFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-12(2,3)20-11(19)16-13(6-7-15-8-13)9-4-5-10(14)18-17-9/h4-5,15H,6-8H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 298.77 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 118542732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).