3-amino-2-isocyanoprop-2-enimidamide

C4H6N4 — CID 137130372

IUPAC3-amino-2-isocyanoprop-2-enimidamide
SMILES[H]/N=C(\N)C(=CN)[N+]#[C-]
InChIInChI=1S/C4H6N4/c1-8-3(2-5)4(6)7/h2H,5H2,(H3,6,7)
InChIKeyWGRQIHNHBMRZKX-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.36
Rot. Bonds1

About 3-amino-2-isocyanoprop-2-enimidamide

3-amino-2-isocyanoprop-2-enimidamide (PubChem CID 137130372) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 3-amino-2-isocyanoprop-2-enimidamide.

Molecular Properties

Compound Name3-amino-2-isocyanoprop-2-enimidamide
PubChem CID137130372
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name3-amino-2-isocyanoprop-2-enimidamide
SMILES[H]/N=C(\N)C(=CN)[N+]#[C-]
InChIInChI=1S/C4H6N4/c1-8-3(2-5)4(6)7/h2H,5H2,(H3,6,7)
InChIKeyWGRQIHNHBMRZKX-UHFFFAOYSA-N
XLogP-0.36
TPSA80.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 3-amino-2-isocyanoprop-2-enimidamide?
The IUPAC name of 3-amino-2-isocyanoprop-2-enimidamide (CID 137130372) is 3-amino-2-isocyanoprop-2-enimidamide.
What is the SMILES notation for 3-amino-2-isocyanoprop-2-enimidamide?
The canonical SMILES for 3-amino-2-isocyanoprop-2-enimidamide is [H]/N=C(\N)C(=CN)[N+]#[C-].
What is the InChIKey of 3-amino-2-isocyanoprop-2-enimidamide?
The InChIKey is WGRQIHNHBMRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-8-3(2-5)4(6)7/h2H,5H2,(H3,6,7).
What are the key properties of 3-amino-2-isocyanoprop-2-enimidamide?
3-amino-2-isocyanoprop-2-enimidamide has a molecular weight of 110.12 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-isocyanoprop-2-enimidamide is sourced from PubChem (CID 137130372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).