10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

C10H10N3O+ — CID 135600871

IUPAC10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESNc1cc2c3c(c1O)[NH+]=CC=3CCN=2
InChIInChI=1S/C10H9N3O/c11-6-3-7-8-5(1-2-12-7)4-13-9(8)10(6)14/h3-4,14H,1-2,11H2/p+1
InChIKeyUTRVSXOLOJTIAD-UHFFFAOYSA-O
MW188.21 g/mol
LogP-2.06
Rot. Bonds

About 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (PubChem CID 135600871) has the molecular formula C10H10N3O+ and a molecular weight of 188.21 g/mol. Its IUPAC name is 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.

Molecular Properties

Compound Name10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
PubChem CID135600871
Molecular FormulaC10H10N3O+
Molecular Weight188.21 g/mol
Exact Mass188.08
IUPAC Name10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESNc1cc2c3c(c1O)[NH+]=CC=3CCN=2
InChIInChI=1S/C10H9N3O/c11-6-3-7-8-5(1-2-12-7)4-13-9(8)10(6)14/h3-4,14H,1-2,11H2/p+1
InChIKeyUTRVSXOLOJTIAD-UHFFFAOYSA-O
XLogP-2.06
TPSA72.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The IUPAC name of 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (CID 135600871) is 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.
What is the SMILES notation for 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The canonical SMILES for 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is Nc1cc2c3c(c1O)[NH+]=CC=3CCN=2.
What is the InChIKey of 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The InChIKey is UTRVSXOLOJTIAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9N3O/c11-6-3-7-8-5(1-2-12-7)4-13-9(8)10(6)14/h3-4,14H,1-2,11H2/p+1.
What are the key properties of 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol has a molecular weight of 188.21 g/mol, XLogP of -2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is sourced from PubChem (CID 135600871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).