tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate

C16H21N5O4 — CID 59232095

IUPACtert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)c2ccc3c(N)ncnn23)C1
InChIInChI=1S/C16H21N5O4/c1-16(2,3)25-15(23)20-6-7-24-12(8-20)13(22)10-4-5-11-14(17)18-9-19-21(10)11/h4-5,9,12H,6-8H2,1-3H3,(H2,17,18,19)
InChIKeyMRTREMSRLIHPRW-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate

tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate (PubChem CID 59232095) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
PubChem CID59232095
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Nametert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)c2ccc3c(N)ncnn23)C1
InChIInChI=1S/C16H21N5O4/c1-16(2,3)25-15(23)20-6-7-24-12(8-20)13(22)10-4-5-11-14(17)18-9-19-21(10)11/h4-5,9,12H,6-8H2,1-3H3,(H2,17,18,19)
InChIKeyMRTREMSRLIHPRW-UHFFFAOYSA-N
XLogP1.13
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
CID 163864079
tert-butyl 3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]azetidine-1-carboxylate
CID 58529825
tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 118173490
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxyazepane-1-carboxylate
CID 58529537
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)pyrrolidine-1-carboxylate
CID 58529901
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
CID 68598494
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl 7-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 58529670

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate (CID 59232095) is tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C(=O)c2ccc3c(N)ncnn23)C1.
What is the InChIKey of tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate?
The InChIKey is MRTREMSRLIHPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-16(2,3)25-15(23)20-6-7-24-12(8-20)13(22)10-4-5-11-14(17)18-9-19-21(10)11/h4-5,9,12H,6-8H2,1-3H3,(H2,17,18,19).
What are the key properties of tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate?
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 59232095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).