N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide

C11H12N4O2 — CID 24618527

IUPACN'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide
SMILESC/C=C/C=C/C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C11H12N4O2/c1-2-3-4-5-10(16)14-15-11(17)9-8-12-6-7-13-9/h2-8H,1H3,(H,14,16)(H,15,17)/b3-2+,5-4+
InChIKeyVOXHLQQLDNFMSC-MQQKCMAXSA-N
MW232.24 g/mol
LogP0.37
Rot. Bonds3

About N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide

N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide (PubChem CID 24618527) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide
PubChem CID24618527
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide
SMILESC/C=C/C=C/C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C11H12N4O2/c1-2-3-4-5-10(16)14-15-11(17)9-8-12-6-7-13-9/h2-8H,1H3,(H,14,16)(H,15,17)/b3-2+,5-4+
InChIKeyVOXHLQQLDNFMSC-MQQKCMAXSA-N
XLogP0.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
N-(pyrazine-2-carbonylamino)carbamodithioate
CID 135545558
(E)-1-pyrazin-2-ylbut-2-en-1-one
CID 103453450
1-pyrazin-2-ylbut-2-en-1-one
CID 175484780
N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
CID 141129728
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide
CID 71899796
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N'-[1-(4-hydroxyphenyl)ethenyl]pyrazine-2-carbohydrazide
CID 3484316

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide (CID 24618527) is N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide is C/C=C/C=C/C(=O)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide?
The InChIKey is VOXHLQQLDNFMSC-MQQKCMAXSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-3-4-5-10(16)14-15-11(17)9-8-12-6-7-13-9/h2-8H,1H3,(H,14,16)(H,15,17)/b3-2+,5-4+.
What are the key properties of N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide?
N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide has a molecular weight of 232.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 24618527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).