10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol

C9H10N4O — CID 59402646

IUPAC10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol
SMILESNc1cnc2c(c1)nc1n2CCC1O
InChIInChI=1S/C9H10N4O/c10-5-3-6-8(11-4-5)13-2-1-7(14)9(13)12-6/h3-4,7,14H,1-2,10H2
InChIKeySJINOCGWGQSSQT-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.45
Rot. Bonds

About 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol

10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol (PubChem CID 59402646) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol.

Molecular Properties

Compound Name10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol
PubChem CID59402646
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol
SMILESNc1cnc2c(c1)nc1n2CCC1O
InChIInChI=1S/C9H10N4O/c10-5-3-6-8(11-4-5)13-2-1-7(14)9(13)12-6/h3-4,7,14H,1-2,10H2
InChIKeySJINOCGWGQSSQT-UHFFFAOYSA-N
XLogP0.45
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol?
The IUPAC name of 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol (CID 59402646) is 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol.
What is the SMILES notation for 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol?
The canonical SMILES for 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol is Nc1cnc2c(c1)nc1n2CCC1O.
What is the InChIKey of 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol?
The InChIKey is SJINOCGWGQSSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-5-3-6-8(11-4-5)13-2-1-7(14)9(13)12-6/h3-4,7,14H,1-2,10H2.
What are the key properties of 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol?
10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol has a molecular weight of 190.21 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-5-ol is sourced from PubChem (CID 59402646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).