N'-amino-N-iminobenzenecarboximidamide;methane

C8H12N4 — CID 143158063

IUPACN'-amino-N-iminobenzenecarboximidamide;methane
SMILESC.[H]/N=N/C(=N\N)c1ccccc1
InChIInChI=1S/C7H8N4.CH4/c8-10-7(11-9)6-4-2-1-3-5-6;/h1-5,8H,9H2;1H4/b10-8+,11-7-;
InChIKeyLKCFOEPNXHMDDB-GOZDGITISA-N
MW164.21 g/mol
LogP1.97
Rot. Bonds1

About N'-amino-N-iminobenzenecarboximidamide;methane

N'-amino-N-iminobenzenecarboximidamide;methane (PubChem CID 143158063) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-amino-N-iminobenzenecarboximidamide;methane.

Molecular Properties

Compound NameN'-amino-N-iminobenzenecarboximidamide;methane
PubChem CID143158063
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN'-amino-N-iminobenzenecarboximidamide;methane
SMILESC.[H]/N=N/C(=N\N)c1ccccc1
InChIInChI=1S/C7H8N4.CH4/c8-10-7(11-9)6-4-2-1-3-5-6;/h1-5,8H,9H2;1H4/b10-8+,11-7-;
InChIKeyLKCFOEPNXHMDDB-GOZDGITISA-N
XLogP1.97
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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'-amino-N-iminobenzenecarboximidamide;methane?
The IUPAC name of N'-amino-N-iminobenzenecarboximidamide;methane (CID 143158063) is N'-amino-N-iminobenzenecarboximidamide;methane.
What is the SMILES notation for N'-amino-N-iminobenzenecarboximidamide;methane?
The canonical SMILES for N'-amino-N-iminobenzenecarboximidamide;methane is C.[H]/N=N/C(=N\N)c1ccccc1.
What is the InChIKey of N'-amino-N-iminobenzenecarboximidamide;methane?
The InChIKey is LKCFOEPNXHMDDB-GOZDGITISA-N. The full InChI is InChI=1S/C7H8N4.CH4/c8-10-7(11-9)6-4-2-1-3-5-6;/h1-5,8H,9H2;1H4/b10-8+,11-7-;.
What are the key properties of N'-amino-N-iminobenzenecarboximidamide;methane?
N'-amino-N-iminobenzenecarboximidamide;methane has a molecular weight of 164.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-iminobenzenecarboximidamide;methane is sourced from PubChem (CID 143158063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).