tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate

C15H20ClN7O2 — CID 131741443

IUPACtert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2nc3ncc(Cl)cc3nc2NN)C1
InChIInChI=1S/C15H20ClN7O2/c1-15(2,3)25-14(24)19-9-6-23(7-9)13-12(22-17)20-10-4-8(16)5-18-11(10)21-13/h4-5,9H,6-7,17H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKYNQARQLYSHBOB-UHFFFAOYSA-N
MW365.83 g/mol
LogP1.68
Rot. Bonds3

About tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate

tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate (PubChem CID 131741443) has the molecular formula C15H20ClN7O2 and a molecular weight of 365.83 g/mol. Its IUPAC name is tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate
PubChem CID131741443
Molecular FormulaC15H20ClN7O2
Molecular Weight365.83 g/mol
Exact Mass365.14
IUPAC Nametert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2nc3ncc(Cl)cc3nc2NN)C1
InChIInChI=1S/C15H20ClN7O2/c1-15(2,3)25-14(24)19-9-6-23(7-9)13-12(22-17)20-10-4-8(16)5-18-11(10)21-13/h4-5,9H,6-7,17H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKYNQARQLYSHBOB-UHFFFAOYSA-N
XLogP1.68
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(12-chloro-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)azetidin-3-yl]carbamate
CID 131741444
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448
tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741486
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477554
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-[5-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-chloro-3-pyridinyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 58865216
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422
tert-butyl N-[1-[4-(3-chloro-2-fluoroanilino)-7-methoxypyrido[3,2-d]pyrimidin-6-yl]azetidin-3-yl]carbamate
CID 166538805
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 86709788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate (CID 131741443) is tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(c2nc3ncc(Cl)cc3nc2NN)C1.
What is the InChIKey of tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate?
The InChIKey is KYNQARQLYSHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O2/c1-15(2,3)25-14(24)19-9-6-23(7-9)13-12(22-17)20-10-4-8(16)5-18-11(10)21-13/h4-5,9H,6-7,17H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate?
tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate has a molecular weight of 365.83 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate is sourced from PubChem (CID 131741443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).