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

C6H11N5O — CID 90839307

IUPAC2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide
SMILESN#CC(N)C(C=O)/N=C(/N)CN
InChIInChI=1S/C6H11N5O/c7-1-4(9)5(3-12)11-6(10)2-8/h3-5H,2,8-9H2,(H2,10,11)
InChIKeyMAGNAWDMWPMUNW-UHFFFAOYSA-N
MW169.19 g/mol
LogP-2.28
Rot. Bonds4

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

2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide (PubChem CID 90839307) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide
PubChem CID90839307
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide
SMILESN#CC(N)C(C=O)/N=C(/N)CN
InChIInChI=1S/C6H11N5O/c7-1-4(9)5(3-12)11-6(10)2-8/h3-5H,2,8-9H2,(H2,10,11)
InChIKeyMAGNAWDMWPMUNW-UHFFFAOYSA-N
XLogP-2.28
TPSA131.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-2.28
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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Related Compounds

N'-(1-amino-1-cyano-3-oxopropan-2-yl)-2-hydroxyethanimidamide
CID 91085191

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide?
The IUPAC name of 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide (CID 90839307) is 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide.
What is the SMILES notation for 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide?
The canonical SMILES for 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide is N#CC(N)C(C=O)/N=C(/N)CN.
What is the InChIKey of 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide?
The InChIKey is MAGNAWDMWPMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-1-4(9)5(3-12)11-6(10)2-8/h3-5H,2,8-9H2,(H2,10,11).
What are the key properties of 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide?
2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide has a molecular weight of 169.19 g/mol, XLogP of -2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(1-amino-1-cyano-3-oxopropan-2-yl)ethanimidamide is sourced from PubChem (CID 90839307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).