tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane

C18H29N5O3 — CID 145487059

IUPACtert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)n2nc[nH]c(=O)c12
InChIInChI=1S/C16H23N5O3.C2H6/c1-10-12-14(22)17-9-18-21(12)13(19-10)11-6-5-7-20(8-11)15(23)24-16(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,17,18,22);1-2H3
InChIKeyGSXVQDMBFTTWLS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane

tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane (PubChem CID 145487059) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane
PubChem CID145487059
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nametert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)n2nc[nH]c(=O)c12
InChIInChI=1S/C16H23N5O3.C2H6/c1-10-12-14(22)17-9-18-21(12)13(19-10)11-6-5-7-20(8-11)15(23)24-16(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,17,18,22);1-2H3
InChIKeyGSXVQDMBFTTWLS-UHFFFAOYSA-N
XLogP2.87
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
CID 163321047
tert-butyl 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 118472590
tert-butyl (3S)-3-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxylate
CID 137137137
tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 75443723
tert-butyl (3S)-3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 124518617
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-(5-hydroxycyclohexa-1,5-dien-1-yl)piperidine-1-carboxylate
CID 176580106

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane (CID 145487059) is tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane is CC.Cc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)n2nc[nH]c(=O)c12.
What is the InChIKey of tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane?
The InChIKey is GSXVQDMBFTTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.C2H6/c1-10-12-14(22)17-9-18-21(12)13(19-10)11-6-5-7-20(8-11)15(23)24-16(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,17,18,22);1-2H3.
What are the key properties of tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane?
tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane has a molecular weight of 363.46 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 145487059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).