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

C10H9N3O — CID 135474607

IUPAC10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESNc1cc2c3c(c1O)N=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
InChIKeyUTRVSXOLOJTIAD-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.14
Rot. Bonds

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

10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (PubChem CID 135474607) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.

Molecular Properties

Compound Name10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
PubChem CID135474607
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESNc1cc2c3c(c1O)N=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
InChIKeyUTRVSXOLOJTIAD-UHFFFAOYSA-N
XLogP-0.14
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The IUPAC name of 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (CID 135474607) is 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.
What is the SMILES notation for 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The canonical SMILES for 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is Nc1cc2c3c(c1O)N=CC=3CCN=2.
What is the InChIKey of 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The InChIKey is UTRVSXOLOJTIAD-UHFFFAOYSA-N. 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.
What are the key properties of 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol has a molecular weight of 187.20 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is sourced from PubChem (CID 135474607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).