N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide

C13H10N4O4 — CID 17388270

IUPACN'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N4O4/c18-12(8-1-2-10-11(5-8)21-7-20-10)16-17-13(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyBRSGYEPNBRXIHK-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.28
Rot. Bonds2

About N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide (PubChem CID 17388270) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
PubChem CID17388270
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N4O4/c18-12(8-1-2-10-11(5-8)21-7-20-10)16-17-13(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyBRSGYEPNBRXIHK-UHFFFAOYSA-N
XLogP0.28
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557429
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985579
N-[(2R,3S,6S)-6-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54645338
N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide
CID 110752252
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18077783
N-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527396
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
CID 17473757
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816095

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide (CID 17388270) is N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide is O=C(NNC(=O)c1cnccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide?
The InChIKey is BRSGYEPNBRXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-12(8-1-2-10-11(5-8)21-7-20-10)16-17-13(19)9-6-14-3-4-15-9/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide has a molecular weight of 286.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 17388270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).