N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide

C9H14N4 — CID 129161143

IUPACN-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=N\N)C1C=CC(C)=C(C)C1
InChIInChI=1S/C9H14N4/c1-6-3-4-8(5-7(6)2)9(10)12-13-11/h3-4,8H,5H2,1-2H3,(H3,10,11,12)
InChIKeyPMNLPMVYJAGJRA-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.20
Rot. Bonds1

About N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide

N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 129161143) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID129161143
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=N\N)C1C=CC(C)=C(C)C1
InChIInChI=1S/C9H14N4/c1-6-3-4-8(5-7(6)2)9(10)12-13-11/h3-4,8H,5H2,1-2H3,(H3,10,11,12)
InChIKeyPMNLPMVYJAGJRA-UHFFFAOYSA-N
XLogP2.20
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.20
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': '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-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide (CID 129161143) is N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N=N\N)C1C=CC(C)=C(C)C1.
What is the InChIKey of N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is PMNLPMVYJAGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6-3-4-8(5-7(6)2)9(10)12-13-11/h3-4,8H,5H2,1-2H3,(H3,10,11,12).
What are the key properties of N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide?
N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 129161143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).