tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate

C17H19ClN6O3 — CID 118467004

IUPACtert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12
InChIInChI=1S/C17H19ClN6O3/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23/h6-8,10H,4-5,9H2,1-3H3
InChIKeyDEUDZGJERHOZMC-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate

tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate (PubChem CID 118467004) has the molecular formula C17H19ClN6O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
PubChem CID118467004
Molecular FormulaC17H19ClN6O3
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Nametert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12
InChIInChI=1S/C17H19ClN6O3/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23/h6-8,10H,4-5,9H2,1-3H3
InChIKeyDEUDZGJERHOZMC-UHFFFAOYSA-N
XLogP3.18
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 158217214
tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
CID 162225336
tert-butyl (3R)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466874
tert-butyl 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylate
CID 146261301
tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate
CID 86662992
N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 118456725
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate
CID 177037000
tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756732
tert-butyl N-[4-(chloromethyl)-2-(1-methylimidazol-4-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]carbamate
CID 176890472
tert-butyl N-ethyl-N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]carbamate
CID 169041841
2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid
CID 53397662
methyl 2-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-8-carboxylate
CID 155456704

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate (CID 118467004) is tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate is CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12.
What is the InChIKey of tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The InChIKey is DEUDZGJERHOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate has a molecular weight of 390.83 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate is sourced from PubChem (CID 118467004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).