3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H19N5O2 — CID 55155638

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCn1ccnc(N(C)CC(C)/C(N)=N/O)c1=O
InChIInChI=1S/C11H19N5O2/c1-4-16-6-5-13-10(11(16)17)15(3)7-8(2)9(12)14-18/h5-6,8,18H,4,7H2,1-3H3,(H2,12,14)
InChIKeyADQQZNNMQUFNFT-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.08
Rot. Bonds5

About 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55155638) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID55155638
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCn1ccnc(N(C)CC(C)/C(N)=N/O)c1=O
InChIInChI=1S/C11H19N5O2/c1-4-16-6-5-13-10(11(16)17)15(3)7-8(2)9(12)14-18/h5-6,8,18H,4,7H2,1-3H3,(H2,12,14)
InChIKeyADQQZNNMQUFNFT-UHFFFAOYSA-N
XLogP0.08
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
CID 76981212
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598
N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
CID 146086687
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanethioamide
CID 62138954
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 103958277

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 55155638) is 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is CCn1ccnc(N(C)CC(C)/C(N)=N/O)c1=O.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ADQQZNNMQUFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-16-6-5-13-10(11(16)17)15(3)7-8(2)9(12)14-18/h5-6,8,18H,4,7H2,1-3H3,(H2,12,14).
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 253.31 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55155638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).