(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

C10H11N3O2 — CID 73440614

IUPAC(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2cccnc2N2C[C@@H](O)CC12
InChIInChI=1S/C10H11N3O2/c14-6-4-8-10(15)12-7-2-1-3-11-9(7)13(8)5-6/h1-3,6,8,14H,4-5H2,(H,12,15)/t6-,8?/m0/s1
InChIKeyHLPBIFFMBXHNGY-UUEFVBAFSA-N
MW205.22 g/mol
LogP-0.03
Rot. Bonds

About (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (PubChem CID 73440614) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
PubChem CID73440614
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2cccnc2N2C[C@@H](O)CC12
InChIInChI=1S/C10H11N3O2/c14-6-4-8-10(15)12-7-2-1-3-11-9(7)13(8)5-6/h1-3,6,8,14H,4-5H2,(H,12,15)/t6-,8?/m0/s1
InChIKeyHLPBIFFMBXHNGY-UUEFVBAFSA-N
XLogP-0.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The IUPAC name of (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (CID 73440614) is (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.
What is the SMILES notation for (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The canonical SMILES for (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is O=C1Nc2cccnc2N2C[C@@H](O)CC12.
What is the InChIKey of (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The InChIKey is HLPBIFFMBXHNGY-UUEFVBAFSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-6-4-8-10(15)12-7-2-1-3-11-9(7)13(8)5-6/h1-3,6,8,14H,4-5H2,(H,12,15)/t6-,8?/m0/s1.
What are the key properties of (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
(4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one has a molecular weight of 205.22 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is sourced from PubChem (CID 73440614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).