4-diazocyclohexa-1,5-diene-1-carboxamide

C7H7N3O — CID 54248874

IUPAC4-diazocyclohexa-1,5-diene-1-carboxamide
SMILES[N-]=[N+]=C1C=CC(C(N)=O)=CC1
InChIInChI=1S/C7H7N3O/c8-7(11)5-1-3-6(10-9)4-2-5/h1-3H,4H2,(H2,8,11)
InChIKeyQVHLVUKXRYMBII-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.03
Rot. Bonds1

About 4-diazocyclohexa-1,5-diene-1-carboxamide

4-diazocyclohexa-1,5-diene-1-carboxamide (PubChem CID 54248874) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-diazocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-diazocyclohexa-1,5-diene-1-carboxamide
PubChem CID54248874
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-diazocyclohexa-1,5-diene-1-carboxamide
SMILES[N-]=[N+]=C1C=CC(C(N)=O)=CC1
InChIInChI=1S/C7H7N3O/c8-7(11)5-1-3-6(10-9)4-2-5/h1-3H,4H2,(H2,8,11)
InChIKeyQVHLVUKXRYMBII-UHFFFAOYSA-N
XLogP0.03
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzotriazepinone
CID 22499005
(Z,2E)-2-ethylidene-5-iminohex-3-enamide
CID 87419522
6-Diazocyclohexa-1,3-diene-1-carboxamide
CID 88799550
4-Diazocyclohexa-1,5-diene-1-carboxamide;hydrochloride
CID 141063145
Cyclohepta[d]triazin-4-one
CID 143917535
(Z)-4-cyclohexa-1,5-dien-1-yl-4-iminobut-2-enamide;molecular hydrogen
CID 145459185
Bis(4-diazocyclohexa-1,5-diene-1-carboxamide);ethane
CID 160444393
4-Diazocyclohexa-1,5-diene-1-carboxamide tetrafluoroborate
CID 176375484
5-Diazocyclohexa-1,3-diene-1-carboxamide
CID 176375509
2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
CID 144575393
(Z)-4-cyclohexa-1,5-dien-1-yl-4-iminobut-2-enamide
CID 145459186
CID 178680179
CID 178680179

Frequently Asked Questions

What is the IUPAC name of 4-diazocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-diazocyclohexa-1,5-diene-1-carboxamide (CID 54248874) is 4-diazocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-diazocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-diazocyclohexa-1,5-diene-1-carboxamide is [N-]=[N+]=C1C=CC(C(N)=O)=CC1.
What is the InChIKey of 4-diazocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is QVHLVUKXRYMBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7(11)5-1-3-6(10-9)4-2-5/h1-3H,4H2,(H2,8,11).
What are the key properties of 4-diazocyclohexa-1,5-diene-1-carboxamide?
4-diazocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 149.15 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 54248874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).