3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide

C10H15N5O2 — CID 30174136

IUPAC3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1nccnc1N
InChIInChI=1S/C10H15N5O2/c1-6(2)5-7(16)14-15-10(17)8-9(11)13-4-3-12-8/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,16)(H,15,17)
InChIKeyIHYVRAQQLUDSJO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.13
Rot. Bonds3

About 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide

3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide (PubChem CID 30174136) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide
PubChem CID30174136
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1nccnc1N
InChIInChI=1S/C10H15N5O2/c1-6(2)5-7(16)14-15-10(17)8-9(11)13-4-3-12-8/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,16)(H,15,17)
InChIKeyIHYVRAQQLUDSJO-UHFFFAOYSA-N
XLogP-0.13
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide?
The IUPAC name of 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide (CID 30174136) is 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide?
The canonical SMILES for 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide is CC(C)CC(=O)NNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide?
The InChIKey is IHYVRAQQLUDSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(2)5-7(16)14-15-10(17)8-9(11)13-4-3-12-8/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,16)(H,15,17).
What are the key properties of 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide?
3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide has a molecular weight of 237.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 30174136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).