3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide

C11H17N5O2 — CID 76950592

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)C(N)=NO)cn1
InChIInChI=1S/C11H17N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2,3)9(12)16-18/h4-5,18H,6H2,1-3H3,(H2,12,16)(H,15,17)
InChIKeyOMZPPZHANIHUAN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.17
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 76950592) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID76950592
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)C(N)=NO)cn1
InChIInChI=1S/C11H17N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2,3)9(12)16-18/h4-5,18H,6H2,1-3H3,(H2,12,16)(H,15,17)
InChIKeyOMZPPZHANIHUAN-UHFFFAOYSA-N
XLogP0.17
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 76950592) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)(C)C(N)=NO)cn1.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is OMZPPZHANIHUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-4-14-8(5-13-7)6-15-10(17)11(2,3)9(12)16-18/h4-5,18H,6H2,1-3H3,(H2,12,16)(H,15,17).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 76950592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).