tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate

C21H26N4O3 — CID 123696790

IUPACtert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate
SMILESCCN(Cc1nn2ccc(C)c2c(=O)n1-c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O3/c1-6-23(20(27)28-21(3,4)5)14-17-22-24-13-12-15(2)18(24)19(26)25(17)16-10-8-7-9-11-16/h7-13H,6,14H2,1-5H3
InChIKeyQCURIGUTKQYUAN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate

tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate (PubChem CID 123696790) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate
PubChem CID123696790
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nametert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate
SMILESCCN(Cc1nn2ccc(C)c2c(=O)n1-c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O3/c1-6-23(20(27)28-21(3,4)5)14-17-22-24-13-12-15(2)18(24)19(26)25(17)16-10-8-7-9-11-16/h7-13H,6,14H2,1-5H3
InChIKeyQCURIGUTKQYUAN-UHFFFAOYSA-N
XLogP3.55
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(5-chloro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]-N-[(2S)-2-(2-methoxyethoxy)butyl]carbamate
CID 144558052
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557981
tert-butyl 2-(5-iodo-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate
CID 118468965
tert-butyl N-[[2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 60557947
tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
2-[(2S,3S)-1-(5-acetyl-2-aminopyrimidin-4-yl)-3-methylazetidin-2-yl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 72949385
4-[(4-methoxyphenyl)methylamino]-6-[1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 118433852
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate (CID 123696790) is tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate is CCN(Cc1nn2ccc(C)c2c(=O)n1-c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate?
The InChIKey is QCURIGUTKQYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-6-23(20(27)28-21(3,4)5)14-17-22-24-13-12-15(2)18(24)19(26)25(17)16-10-8-7-9-11-16/h7-13H,6,14H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate?
tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate is sourced from PubChem (CID 123696790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).