N'-cyanopropanimidamide

C4H7N3 — CID 12706424

IUPACN'-cyanopropanimidamide
SMILESCC/C(N)=N\C#N
InChIInChI=1S/C4H7N3/c1-2-4(6)7-3-5/h2H2,1H3,(H2,6,7)
InChIKeyULLKIDSUQPSFFI-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.23
Rot. Bonds1

About N'-cyanopropanimidamide

N'-cyanopropanimidamide (PubChem CID 12706424) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N'-cyanopropanimidamide.

Molecular Properties

Compound NameN'-cyanopropanimidamide
PubChem CID12706424
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN'-cyanopropanimidamide
SMILESCC/C(N)=N\C#N
InChIInChI=1S/C4H7N3/c1-2-4(6)7-3-5/h2H2,1H3,(H2,6,7)
InChIKeyULLKIDSUQPSFFI-UHFFFAOYSA-N
XLogP0.23
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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'-cyanopropanimidamide?
The IUPAC name of N'-cyanopropanimidamide (CID 12706424) is N'-cyanopropanimidamide.
What is the SMILES notation for N'-cyanopropanimidamide?
The canonical SMILES for N'-cyanopropanimidamide is CC/C(N)=N\C#N.
What is the InChIKey of N'-cyanopropanimidamide?
The InChIKey is ULLKIDSUQPSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-4(6)7-3-5/h2H2,1H3,(H2,6,7).
What are the key properties of N'-cyanopropanimidamide?
N'-cyanopropanimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanopropanimidamide is sourced from PubChem (CID 12706424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).