N'-hydroxy-3-pyrazin-2-ylpropanimidamide

C7H10N4O — CID 164644111

IUPACN'-hydroxy-3-pyrazin-2-ylpropanimidamide
SMILESN/C(CCc1cnccn1)=N/O
InChIInChI=1S/C7H10N4O/c8-7(11-12)2-1-6-5-9-3-4-10-6/h3-5,12H,1-2H2,(H2,8,11)
InChIKeyAXPHSKMRLRMSGK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.16
Rot. Bonds3

About N'-hydroxy-3-pyrazin-2-ylpropanimidamide

N'-hydroxy-3-pyrazin-2-ylpropanimidamide (PubChem CID 164644111) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-hydroxy-3-pyrazin-2-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-pyrazin-2-ylpropanimidamide
PubChem CID164644111
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN'-hydroxy-3-pyrazin-2-ylpropanimidamide
SMILESN/C(CCc1cnccn1)=N/O
InChIInChI=1S/C7H10N4O/c8-7(11-12)2-1-6-5-9-3-4-10-6/h3-5,12H,1-2H2,(H2,8,11)
InChIKeyAXPHSKMRLRMSGK-UHFFFAOYSA-N
XLogP0.16
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.16
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Propylpyrazine
CID 87466
2-Pyrazinepropanamine
CID 22292749
3-(Pyrazin-2-yl)propan-1-amine hydrochloride
CID 71756777
3-(Pyrazin-2-yl)propan-1-amine dihydrochloride
CID 139026505
2,5-Pyrazinedipentanamine
CID 3804270
Pyrazinamine, 6-propyl-
CID 45788303
2-(4-Nitrosobutyl)pyrazine
CID 57143742
Pyrazine, 3-butenyl-
CID 22477625
3-Fluoro-3-(pyrazin-2-yl)propan-1-amine
CID 104277027
1-Oxido-2-propylpyrazin-1-ium
CID 12826355
1-Oxido-3-propylpyrazin-1-ium
CID 12826356
3-Fluoro-3-(5-methylpyrazin-2-yl)propan-1-amine
CID 165710767

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-pyrazin-2-ylpropanimidamide?
The IUPAC name of N'-hydroxy-3-pyrazin-2-ylpropanimidamide (CID 164644111) is N'-hydroxy-3-pyrazin-2-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-pyrazin-2-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-pyrazin-2-ylpropanimidamide is N/C(CCc1cnccn1)=N/O.
What is the InChIKey of N'-hydroxy-3-pyrazin-2-ylpropanimidamide?
The InChIKey is AXPHSKMRLRMSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-7(11-12)2-1-6-5-9-3-4-10-6/h3-5,12H,1-2H2,(H2,8,11).
What are the key properties of N'-hydroxy-3-pyrazin-2-ylpropanimidamide?
N'-hydroxy-3-pyrazin-2-ylpropanimidamide has a molecular weight of 166.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-pyrazin-2-ylpropanimidamide is sourced from PubChem (CID 164644111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).