N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide

C12H17N5O2 — CID 77041745

IUPACN'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
SMILESCc1cnc(C(=O)N2CCCC(C(N)=NO)C2)cn1
InChIInChI=1S/C12H17N5O2/c1-8-5-15-10(6-14-8)12(18)17-4-2-3-9(7-17)11(13)16-19/h5-6,9,19H,2-4,7H2,1H3,(H2,13,16)
InChIKeySVTNRCULMBBXBQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.38
Rot. Bonds2

About N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide

N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide (PubChem CID 77041745) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
PubChem CID77041745
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
SMILESCc1cnc(C(=O)N2CCCC(C(N)=NO)C2)cn1
InChIInChI=1S/C12H17N5O2/c1-8-5-15-10(6-14-8)12(18)17-4-2-3-9(7-17)11(13)16-19/h5-6,9,19H,2-4,7H2,1H3,(H2,13,16)
InChIKeySVTNRCULMBBXBQ-UHFFFAOYSA-N
XLogP0.38
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide (CID 77041745) is N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide is Cc1cnc(C(=O)N2CCCC(C(N)=NO)C2)cn1.
What is the InChIKey of N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide?
The InChIKey is SVTNRCULMBBXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-5-15-10(6-14-8)12(18)17-4-2-3-9(7-17)11(13)16-19/h5-6,9,19H,2-4,7H2,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide has a molecular weight of 263.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).