N-amino-N'-cyanomethanimidamide

C2H4N4 — CID 22748904

IUPACN-amino-N'-cyanomethanimidamide
SMILESN#C/N=C/NN
InChIInChI=1S/C2H4N4/c3-1-5-2-6-4/h2H,4H2,(H,5,6)
InChIKeyOUDPDMNMELBIJH-UHFFFAOYSA-N
MW84.08 g/mol
LogP-1.04
Rot. Bonds1

About N-amino-N'-cyanomethanimidamide

N-amino-N'-cyanomethanimidamide (PubChem CID 22748904) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is N-amino-N'-cyanomethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyanomethanimidamide
PubChem CID22748904
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC NameN-amino-N'-cyanomethanimidamide
SMILESN#C/N=C/NN
InChIInChI=1S/C2H4N4/c3-1-5-2-6-4/h2H,4H2,(H,5,6)
InChIKeyOUDPDMNMELBIJH-UHFFFAOYSA-N
XLogP-1.04
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419
1-cyano-N'-fluoromethanimidamide
CID 23233998
2-cyanoethylidenecyanamide
CID 21427158
ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate
CID 71393065
butylidenecyanamide
CID 21412158
[(2Z)-penta-2,4-dienylidene]cyanamide
CID 89025205
N'-(1,2-dicyanoethenyl)methanimidamide
CID 173463412
N-(cyanoiminomethyl)ethanimidoyl chloride
CID 139397168
triazane;hydrate
CID 162025964
2-cyano-1-[(N'-cyanocarbamimidoyl)amino]guanidine
CID 91179638
undecylidenecyanamide
CID 21412181
octacosylidenecyanamide
CID 21412222

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyanomethanimidamide?
The IUPAC name of N-amino-N'-cyanomethanimidamide (CID 22748904) is N-amino-N'-cyanomethanimidamide.
What is the SMILES notation for N-amino-N'-cyanomethanimidamide?
The canonical SMILES for N-amino-N'-cyanomethanimidamide is N#C/N=C/NN.
What is the InChIKey of N-amino-N'-cyanomethanimidamide?
The InChIKey is OUDPDMNMELBIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-1-5-2-6-4/h2H,4H2,(H,5,6).
What are the key properties of N-amino-N'-cyanomethanimidamide?
N-amino-N'-cyanomethanimidamide has a molecular weight of 84.08 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyanomethanimidamide is sourced from PubChem (CID 22748904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).