N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide

C6H10N4O2 — CID 91085191

IUPACN'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide
SMILESN#CC(N)C(C=O)/N=C(/N)CO
InChIInChI=1S/C6H10N4O2/c7-1-4(8)5(2-11)10-6(9)3-12/h2,4-5,12H,3,8H2,(H2,9,10)
InChIKeyASXIPFFDUMJAJP-UHFFFAOYSA-N
MW170.17 g/mol
LogP-2.25
Rot. Bonds4

About N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide

N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide (PubChem CID 91085191) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide
PubChem CID91085191
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide
SMILESN#CC(N)C(C=O)/N=C(/N)CO
InChIInChI=1S/C6H10N4O2/c7-1-4(8)5(2-11)10-6(9)3-12/h2,4-5,12H,3,8H2,(H2,9,10)
InChIKeyASXIPFFDUMJAJP-UHFFFAOYSA-N
XLogP-2.25
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide?
The IUPAC name of N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide (CID 91085191) is N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide.
What is the SMILES notation for N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide?
The canonical SMILES for N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide is N#CC(N)C(C=O)/N=C(/N)CO.
What is the InChIKey of N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide?
The InChIKey is ASXIPFFDUMJAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-1-4(8)5(2-11)10-6(9)3-12/h2,4-5,12H,3,8H2,(H2,9,10).
What are the key properties of N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide?
N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide has a molecular weight of 170.17 g/mol, XLogP of -2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide is sourced from PubChem (CID 91085191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).