N'-propan-2-ylpyrazine-2-carbohydrazide

C8H12N4O — CID 90679858

IUPACN'-propan-2-ylpyrazine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1cnccn1
InChIInChI=1S/C8H12N4O/c1-6(2)11-12-8(13)7-5-9-3-4-10-7/h3-6,11H,1-2H3,(H,12,13)
InChIKeyKLYGUDCNXYQXIV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds3

About N'-propan-2-ylpyrazine-2-carbohydrazide

N'-propan-2-ylpyrazine-2-carbohydrazide (PubChem CID 90679858) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-propan-2-ylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-propan-2-ylpyrazine-2-carbohydrazide
PubChem CID90679858
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN'-propan-2-ylpyrazine-2-carbohydrazide
SMILESCC(C)NNC(=O)c1cnccn1
InChIInChI=1S/C8H12N4O/c1-6(2)11-12-8(13)7-5-9-3-4-10-7/h3-6,11H,1-2H3,(H,12,13)
InChIKeyKLYGUDCNXYQXIV-UHFFFAOYSA-N
XLogP0.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-propan-2-ylpyrazine-2-carbohydrazide?
The IUPAC name of N'-propan-2-ylpyrazine-2-carbohydrazide (CID 90679858) is N'-propan-2-ylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-propan-2-ylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-propan-2-ylpyrazine-2-carbohydrazide is CC(C)NNC(=O)c1cnccn1.
What is the InChIKey of N'-propan-2-ylpyrazine-2-carbohydrazide?
The InChIKey is KLYGUDCNXYQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(2)11-12-8(13)7-5-9-3-4-10-7/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of N'-propan-2-ylpyrazine-2-carbohydrazide?
N'-propan-2-ylpyrazine-2-carbohydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylpyrazine-2-carbohydrazide is sourced from PubChem (CID 90679858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).