N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide

C19H26N6O2 — CID 170000418

IUPACN-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide
SMILESC=C/N=C/C=C(\C)NC(=O)Cn1nc(N(C)CC)n2cc(CC)cc2c1=O
InChIInChI=1S/C19H26N6O2/c1-6-15-11-16-18(27)25(22-19(23(5)8-3)24(16)12-15)13-17(26)21-14(4)9-10-20-7-2/h7,9-12H,2,6,8,13H2,1,3-5H3,(H,21,26)/b14-9+,20-10+
InChIKeyOPJXRVOUNGLONH-GYGISDOKSA-N
MW370.46 g/mol
LogP1.75
Rot. Bonds8

About N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide

N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide (PubChem CID 170000418) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide
PubChem CID170000418
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide
SMILESC=C/N=C/C=C(\C)NC(=O)Cn1nc(N(C)CC)n2cc(CC)cc2c1=O
InChIInChI=1S/C19H26N6O2/c1-6-15-11-16-18(27)25(22-19(23(5)8-3)24(16)12-15)13-17(26)21-14(4)9-10-20-7-2/h7,9-12H,2,6,8,13H2,1,3-5H3,(H,21,26)/b14-9+,20-10+
InChIKeyOPJXRVOUNGLONH-GYGISDOKSA-N
XLogP1.75
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide?
The IUPAC name of N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide (CID 170000418) is N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide.
What is the SMILES notation for N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide?
The canonical SMILES for N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide is C=C/N=C/C=C(\C)NC(=O)Cn1nc(N(C)CC)n2cc(CC)cc2c1=O.
What is the InChIKey of N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide?
The InChIKey is OPJXRVOUNGLONH-GYGISDOKSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-6-15-11-16-18(27)25(22-19(23(5)8-3)24(16)12-15)13-17(26)21-14(4)9-10-20-7-2/h7,9-12H,2,6,8,13H2,1,3-5H3,(H,21,26)/b14-9+,20-10+.
What are the key properties of N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide?
N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-ethenyliminobut-2-en-2-yl]-2-[7-ethyl-4-[ethyl(methyl)amino]-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamide is sourced from PubChem (CID 170000418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).