N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide

C15H16N4O5 — CID 42016001

IUPACN'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C15H16N4O5/c1-22-11-7-13(24-3)12(23-2)6-9(11)14(20)18-19-15(21)10-8-16-4-5-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyREUKGJXFEWWYCN-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.58
Rot. Bonds5

About N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide

N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide (PubChem CID 42016001) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
PubChem CID42016001
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC NameN'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C15H16N4O5/c1-22-11-7-13(24-3)12(23-2)6-9(11)14(20)18-19-15(21)10-8-16-4-5-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyREUKGJXFEWWYCN-UHFFFAOYSA-N
XLogP0.58
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
CID 18231234
N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
CID 42016381
N-(pyrazine-2-carbonylamino)carbamodithioate
CID 135545558
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
CID 42015952
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide (CID 42016001) is N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide is COc1cc(OC)c(C(=O)NNC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide?
The InChIKey is REUKGJXFEWWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-22-11-7-13(24-3)12(23-2)6-9(11)14(20)18-19-15(21)10-8-16-4-5-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide?
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide has a molecular weight of 332.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 42016001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).