N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide

C13H15N5O2 — CID 114570749

IUPACN'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
SMILESN/C(CCN(c1ccccc1)c1ncc[nH]c1=O)=N/O
InChIInChI=1S/C13H15N5O2/c14-11(17-20)6-9-18(10-4-2-1-3-5-10)12-13(19)16-8-7-15-12/h1-5,7-8,20H,6,9H2,(H2,14,17)(H,16,19)
InChIKeyZXQQWPFQNRLCJY-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.04
Rot. Bonds5

About N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide

N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide (PubChem CID 114570749) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
PubChem CID114570749
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
SMILESN/C(CCN(c1ccccc1)c1ncc[nH]c1=O)=N/O
InChIInChI=1S/C13H15N5O2/c14-11(17-20)6-9-18(10-4-2-1-3-5-10)12-13(19)16-8-7-15-12/h1-5,7-8,20H,6,9H2,(H2,14,17)(H,16,19)
InChIKeyZXQQWPFQNRLCJY-UHFFFAOYSA-N
XLogP1.04
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570768
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
CID 43101626
N'-hydroxy-3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648342
N'-hydroxy-3-[N-(1,3,4-thiadiazol-2-yl)anilino]propanimidamide
CID 77021390
3-[N-(3-aminopropyl)-4-fluoroanilino]-1H-pyrazin-2-one
CID 114570610
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
CID 61224912
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
CID 55166554
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide (CID 114570749) is N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide is N/C(CCN(c1ccccc1)c1ncc[nH]c1=O)=N/O.
What is the InChIKey of N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide?
The InChIKey is ZXQQWPFQNRLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-11(17-20)6-9-18(10-4-2-1-3-5-10)12-13(19)16-8-7-15-12/h1-5,7-8,20H,6,9H2,(H2,14,17)(H,16,19).
What are the key properties of N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide?
N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide has a molecular weight of 273.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide is sourced from PubChem (CID 114570749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).