tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen

C13H22N4O2 — CID 145321014

IUPACtert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2cccnn2)C1.[H][H]
InChIInChI=1S/C13H20N4O2.H2/c1-13(2,3)19-12(18)15-10-6-8-17(9-10)11-5-4-7-14-16-11;/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,18);1H/t10-;/m1./s1
InChIKeyCTTKTGPQHORUCM-HNCPQSOCSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds2

About tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen

tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen (PubChem CID 145321014) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
PubChem CID145321014
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2cccnn2)C1.[H][H]
InChIInChI=1S/C13H20N4O2.H2/c1-13(2,3)19-12(18)15-10-6-8-17(9-10)11-5-4-7-14-16-11;/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,18);1H/t10-;/m1./s1
InChIKeyCTTKTGPQHORUCM-HNCPQSOCSA-N
XLogP1.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129161455
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen (CID 145321014) is tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen is CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccnn2)C1.[H][H].
What is the InChIKey of tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen?
The InChIKey is CTTKTGPQHORUCM-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H20N4O2.H2/c1-13(2,3)19-12(18)15-10-6-8-17(9-10)11-5-4-7-14-16-11;/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,18);1H/t10-;/m1./s1.
What are the key properties of tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen?
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen has a molecular weight of 266.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen is sourced from PubChem (CID 145321014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).