2-amino-N'-hydroxypropanimidamide

C3H9N3O — CID 5477850

IUPAC2-amino-N'-hydroxypropanimidamide
SMILESCC(N)/C(N)=N\O
InChIInChI=1S/C3H9N3O/c1-2(4)3(5)6-7/h2,7H,4H2,1H3,(H2,5,6)
InChIKeyMNXGWKHGKABNQN-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.92
Rot. Bonds1

About 2-amino-N'-hydroxypropanimidamide

2-amino-N'-hydroxypropanimidamide (PubChem CID 5477850) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-amino-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxypropanimidamide
PubChem CID5477850
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name2-amino-N'-hydroxypropanimidamide
SMILESCC(N)/C(N)=N\O
InChIInChI=1S/C3H9N3O/c1-2(4)3(5)6-7/h2,7H,4H2,1H3,(H2,5,6)
InChIKeyMNXGWKHGKABNQN-UHFFFAOYSA-N
XLogP-0.92
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-N'-hydroxypropanimidamide?
The IUPAC name of 2-amino-N'-hydroxypropanimidamide (CID 5477850) is 2-amino-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-amino-N'-hydroxypropanimidamide?
The canonical SMILES for 2-amino-N'-hydroxypropanimidamide is CC(N)/C(N)=N\O.
What is the InChIKey of 2-amino-N'-hydroxypropanimidamide?
The InChIKey is MNXGWKHGKABNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-2(4)3(5)6-7/h2,7H,4H2,1H3,(H2,5,6).
What are the key properties of 2-amino-N'-hydroxypropanimidamide?
2-amino-N'-hydroxypropanimidamide has a molecular weight of 103.12 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxypropanimidamide is sourced from PubChem (CID 5477850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).