3-imino-2-pyrazin-2-ylpropanamide

C7H8N4O — CID 123985914

IUPAC3-imino-2-pyrazin-2-ylpropanamide
SMILES[H]/N=C/C(C(N)=O)c1cnccn1
InChIInChI=1S/C7H8N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-5,8H,(H2,9,12)/b8-3+
InChIKeyPCQSMKXQSCEGLR-FPYGCLRLSA-N
MW164.17 g/mol
LogP-0.30
Rot. Bonds3

About 3-imino-2-pyrazin-2-ylpropanamide

3-imino-2-pyrazin-2-ylpropanamide (PubChem CID 123985914) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-imino-2-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name3-imino-2-pyrazin-2-ylpropanamide
PubChem CID123985914
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3-imino-2-pyrazin-2-ylpropanamide
SMILES[H]/N=C/C(C(N)=O)c1cnccn1
InChIInChI=1S/C7H8N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-5,8H,(H2,9,12)/b8-3+
InChIKeyPCQSMKXQSCEGLR-FPYGCLRLSA-N
XLogP-0.30
TPSA92.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-pyrazin-2-ylpropanamide?
The IUPAC name of 3-imino-2-pyrazin-2-ylpropanamide (CID 123985914) is 3-imino-2-pyrazin-2-ylpropanamide.
What is the SMILES notation for 3-imino-2-pyrazin-2-ylpropanamide?
The canonical SMILES for 3-imino-2-pyrazin-2-ylpropanamide is [H]/N=C/C(C(N)=O)c1cnccn1.
What is the InChIKey of 3-imino-2-pyrazin-2-ylpropanamide?
The InChIKey is PCQSMKXQSCEGLR-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H8N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-5,8H,(H2,9,12)/b8-3+.
What are the key properties of 3-imino-2-pyrazin-2-ylpropanamide?
3-imino-2-pyrazin-2-ylpropanamide has a molecular weight of 164.17 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-pyrazin-2-ylpropanamide is sourced from PubChem (CID 123985914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).