3-iminopropanimidamide

C3H7N3 — CID 54176967

IUPAC3-iminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/[H]
InChIInChI=1S/C3H7N3/c4-2-1-3(5)6/h2,4H,1H2,(H3,5,6)/b4-2+
InChIKeyOZBOBVNABBUCJE-DUXPYHPUSA-N
MW85.11 g/mol
LogP-0.04
Rot. Bonds2

About 3-iminopropanimidamide

3-iminopropanimidamide (PubChem CID 54176967) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 3-iminopropanimidamide.

Molecular Properties

Compound Name3-iminopropanimidamide
PubChem CID54176967
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name3-iminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/[H]
InChIInChI=1S/C3H7N3/c4-2-1-3(5)6/h2,4H,1H2,(H3,5,6)/b4-2+
InChIKeyOZBOBVNABBUCJE-DUXPYHPUSA-N
XLogP-0.04
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-iminopropanimidamide?
The IUPAC name of 3-iminopropanimidamide (CID 54176967) is 3-iminopropanimidamide.
What is the SMILES notation for 3-iminopropanimidamide?
The canonical SMILES for 3-iminopropanimidamide is [H]/N=C(\N)C/C=N/[H].
What is the InChIKey of 3-iminopropanimidamide?
The InChIKey is OZBOBVNABBUCJE-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H7N3/c4-2-1-3(5)6/h2,4H,1H2,(H3,5,6)/b4-2+.
What are the key properties of 3-iminopropanimidamide?
3-iminopropanimidamide has a molecular weight of 85.11 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopropanimidamide is sourced from PubChem (CID 54176967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).