[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium

C7H8N2 — CID 132595472

IUPAC[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
SMILESNC(=[NH2+])C1=CC=C=C[CH-]1
InChIInChI=1S/C7H7N2/c8-7(9)6-4-2-1-3-5-6/h2-5H,(H3,8,9)/q-1/p+1
InChIKeyQEANAYPRUXDYDH-UHFFFAOYSA-O
MW120.15 g/mol
LogP-1.04
Rot. Bonds1

About [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium

[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium (PubChem CID 132595472) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
PubChem CID132595472
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
SMILESNC(=[NH2+])C1=CC=C=C[CH-]1
InChIInChI=1S/C7H7N2/c8-7(9)6-4-2-1-3-5-6/h2-5H,(H3,8,9)/q-1/p+1
InChIKeyQEANAYPRUXDYDH-UHFFFAOYSA-O
XLogP-1.04
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
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
5-Amino-4-iminocyclohexa-1,5-diene-1-carboximidamide
CID 89231802

Frequently Asked Questions

What is the IUPAC name of [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium?
The IUPAC name of [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium (CID 132595472) is [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium.
What is the SMILES notation for [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium?
The canonical SMILES for [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium is NC(=[NH2+])C1=CC=C=C[CH-]1.
What is the InChIKey of [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium?
The InChIKey is QEANAYPRUXDYDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7N2/c8-7(9)6-4-2-1-3-5-6/h2-5H,(H3,8,9)/q-1/p+1.
What are the key properties of [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium?
[amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium has a molecular weight of 120.15 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium is sourced from PubChem (CID 132595472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).