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

C10H15N5O2 — CID 55122485

IUPAC(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)/C(N)=N/O)cn1
InChIInChI=1S/C10H15N5O2/c1-6-3-13-8(4-12-6)5-14-10(16)7(2)9(11)15-17/h3-4,7,17H,5H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyCOFWGNJPOPCRRJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.22
Rot. Bonds4

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

(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 55122485) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID55122485
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)/C(N)=N/O)cn1
InChIInChI=1S/C10H15N5O2/c1-6-3-13-8(4-12-6)5-14-10(16)7(2)9(11)15-17/h3-4,7,17H,5H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyCOFWGNJPOPCRRJ-UHFFFAOYSA-N
XLogP-0.22
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.22
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 (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 55122485) is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)/C(N)=N/O)cn1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is COFWGNJPOPCRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-3-13-8(4-12-6)5-14-10(16)7(2)9(11)15-17/h3-4,7,17H,5H2,1-2H3,(H2,11,15)(H,14,16).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 55122485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).