N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

C21H31N5O5 — CID 142955869

IUPACN-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
SMILESCOCCCN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccc(OC)cc2)C(C)C1=O
InChIInChI=1S/C21H31N5O5/c1-15-20(28)24(10-5-11-30-3)13-18-25(15)19(27)14-23(2)26(18)21(29)22-12-16-6-8-17(31-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,22,29)
InChIKeyVZNGRMUOTUSPGE-UHFFFAOYSA-N
MW433.51 g/mol
LogP0.49
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide (PubChem CID 142955869) has the molecular formula C21H31N5O5 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
PubChem CID142955869
Molecular FormulaC21H31N5O5
Molecular Weight433.51 g/mol
Exact Mass433.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
SMILESCOCCCN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccc(OC)cc2)C(C)C1=O
InChIInChI=1S/C21H31N5O5/c1-15-20(28)24(10-5-11-30-3)13-18-25(15)19(27)14-23(2)26(18)21(29)22-12-16-6-8-17(31-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,22,29)
InChIKeyVZNGRMUOTUSPGE-UHFFFAOYSA-N
XLogP0.49
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide with MolForge

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Related Compounds

(6S)-6-butyl-N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 143145710
N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2-methyl-6-(2-methylsulfanylethyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 66788590
(6S,9aS)-6-benzyl-8-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58889073
8-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-methylsulfanylethyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 66788392
(6S,9aS)-8-hexyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-6-propyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58887979
(6S,9aS)-N-[(4-fluorophenyl)methyl]-8-(3-methoxypropyl)-2-methyl-4,7-dioxo-6-propan-2-yl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58888915
2-[(6S,9aS)-8-butyl-1-[(4-methoxyphenyl)methylcarbamoyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]acetic acid
CID 58889257
2-[(6S,9aS)-1-(benzylcarbamoyl)-8-(3-methoxypropyl)-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]acetic acid
CID 58887905
(6S,9aS)-N-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-6-phenyl-8-(3-phenylpropyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58888509
2-[(6S,9aS)-1-[(4-methoxyphenyl)methylcarbamoyl]-2-methyl-4,7-dioxo-8-(3-phenylpropyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]acetic acid
CID 58888637
(6S,9aS)-N,8-bis[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-6-propan-2-yl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58887688
(6S,9aS)-6-butan-2-yl-N,8-bis[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58887837

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide (CID 142955869) is N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide is COCCCN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccc(OC)cc2)C(C)C1=O.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The InChIKey is VZNGRMUOTUSPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O5/c1-15-20(28)24(10-5-11-30-3)13-18-25(15)19(27)14-23(2)26(18)21(29)22-12-16-6-8-17(31-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,22,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-2,6-dimethyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide is sourced from PubChem (CID 142955869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).