3-pyrazin-2-ylsulfanylpropanimidamide

C7H10N4S — CID 63380805

IUPAC3-pyrazin-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cnccn1
InChIInChI=1S/C7H10N4S/c8-6(9)1-4-12-7-5-10-2-3-11-7/h2-3,5H,1,4H2,(H3,8,9)
InChIKeyLTYCAGZJMBBYDX-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.89
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylpropanimidamide

3-pyrazin-2-ylsulfanylpropanimidamide (PubChem CID 63380805) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylpropanimidamide.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylpropanimidamide
PubChem CID63380805
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name3-pyrazin-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1cnccn1
InChIInChI=1S/C7H10N4S/c8-6(9)1-4-12-7-5-10-2-3-11-7/h2-3,5H,1,4H2,(H3,8,9)
InChIKeyLTYCAGZJMBBYDX-UHFFFAOYSA-N
XLogP0.89
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylsulfanylpropanimidamide?
The IUPAC name of 3-pyrazin-2-ylsulfanylpropanimidamide (CID 63380805) is 3-pyrazin-2-ylsulfanylpropanimidamide.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylpropanimidamide?
The canonical SMILES for 3-pyrazin-2-ylsulfanylpropanimidamide is [H]/N=C(\N)CCSc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylpropanimidamide?
The InChIKey is LTYCAGZJMBBYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c8-6(9)1-4-12-7-5-10-2-3-11-7/h2-3,5H,1,4H2,(H3,8,9).
What are the key properties of 3-pyrazin-2-ylsulfanylpropanimidamide?
3-pyrazin-2-ylsulfanylpropanimidamide has a molecular weight of 182.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylsulfanylpropanimidamide is sourced from PubChem (CID 63380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).