N-imino-N'-methanimidoylmethanimidamide

C2H4N4 — CID 123685574

IUPACN-imino-N'-methanimidoylmethanimidamide
SMILES[H]/N=C/N=C/N=N/[H]
InChIInChI=1S/C2H4N4/c3-1-5-2-6-4/h1-4H/b3-1+,5-2+,6-4+
InChIKeyCXIDHMVUENVWBG-LLLAXGIDSA-N
MW84.08 g/mol
LogP0.65
Rot. Bonds2

About N-imino-N'-methanimidoylmethanimidamide

N-imino-N'-methanimidoylmethanimidamide (PubChem CID 123685574) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is N-imino-N'-methanimidoylmethanimidamide.

Molecular Properties

Compound NameN-imino-N'-methanimidoylmethanimidamide
PubChem CID123685574
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC NameN-imino-N'-methanimidoylmethanimidamide
SMILES[H]/N=C/N=C/N=N/[H]
InChIInChI=1S/C2H4N4/c3-1-5-2-6-4/h1-4H/b3-1+,5-2+,6-4+
InChIKeyCXIDHMVUENVWBG-LLLAXGIDSA-N
XLogP0.65
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-imino-N'-methanimidoylmethanimidamide?
The IUPAC name of N-imino-N'-methanimidoylmethanimidamide (CID 123685574) is N-imino-N'-methanimidoylmethanimidamide.
What is the SMILES notation for N-imino-N'-methanimidoylmethanimidamide?
The canonical SMILES for N-imino-N'-methanimidoylmethanimidamide is [H]/N=C/N=C/N=N/[H].
What is the InChIKey of N-imino-N'-methanimidoylmethanimidamide?
The InChIKey is CXIDHMVUENVWBG-LLLAXGIDSA-N. The full InChI is InChI=1S/C2H4N4/c3-1-5-2-6-4/h1-4H/b3-1+,5-2+,6-4+.
What are the key properties of N-imino-N'-methanimidoylmethanimidamide?
N-imino-N'-methanimidoylmethanimidamide has a molecular weight of 84.08 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-N'-methanimidoylmethanimidamide is sourced from PubChem (CID 123685574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).