cyclohexa-1,3,4-triene-1-carboximidamide

C7H8N2 — CID 132595473

IUPACcyclohexa-1,3,4-triene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C=CC1
InChIInChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h2-4H,5H2,(H3,8,9)
InChIKeyLRPIVHQONOWNAS-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.96
Rot. Bonds1

About cyclohexa-1,3,4-triene-1-carboximidamide

cyclohexa-1,3,4-triene-1-carboximidamide (PubChem CID 132595473) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is cyclohexa-1,3,4-triene-1-carboximidamide.

Molecular Properties

Compound Namecyclohexa-1,3,4-triene-1-carboximidamide
PubChem CID132595473
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Namecyclohexa-1,3,4-triene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C=CC1
InChIInChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h2-4H,5H2,(H3,8,9)
InChIKeyLRPIVHQONOWNAS-UHFFFAOYSA-N
XLogP0.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
Cyclopentadienylamidine
CID 59145620
6-Fluorocyclohexa-1,5-diene-1-carboximidamide
CID 18759979
3-(Trifluoromethyl)cyclohexa-1,3-diene-1-carboximidamide
CID 123658529
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
2-Methylidenepent-3-enimidamide
CID 57266179
3-Ethylbenzene-4-ide-1-carboximidamide;yttrium
CID 57863166
Benzenecarboximidamide;tungsten
CID 58182739
Cyclohexene-1-carboximidamide
CID 68077891
3-Sulfanylidenecyclohexa-1,5-diene-1-carboximidamide
CID 87956727
4-Bromocyclohexa-1,3-diene-1-carboximidamide
CID 89087706

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3,4-triene-1-carboximidamide?
The IUPAC name of cyclohexa-1,3,4-triene-1-carboximidamide (CID 132595473) is cyclohexa-1,3,4-triene-1-carboximidamide.
What is the SMILES notation for cyclohexa-1,3,4-triene-1-carboximidamide?
The canonical SMILES for cyclohexa-1,3,4-triene-1-carboximidamide is [H]/N=C(\N)C1=CC=C=CC1.
What is the InChIKey of cyclohexa-1,3,4-triene-1-carboximidamide?
The InChIKey is LRPIVHQONOWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h2-4H,5H2,(H3,8,9).
What are the key properties of cyclohexa-1,3,4-triene-1-carboximidamide?
cyclohexa-1,3,4-triene-1-carboximidamide has a molecular weight of 120.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3,4-triene-1-carboximidamide is sourced from PubChem (CID 132595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).