(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene

C10H13N3 — CID 82411081

IUPAC(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
SMILESc1cc2c(cn1)N1CCC[C@H]1CN2
InChIInChI=1S/C10H13N3/c1-2-8-6-12-9-3-4-11-7-10(9)13(8)5-1/h3-4,7-8,12H,1-2,5-6H2/t8-/m0/s1
InChIKeyGGYRIYFJPMAGCO-QMMMGPOBSA-N
MW175.24 g/mol
LogP1.48
Rot. Bonds

About (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene

(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene (PubChem CID 82411081) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene.

Molecular Properties

Compound Name(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
PubChem CID82411081
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
SMILESc1cc2c(cn1)N1CCC[C@H]1CN2
InChIInChI=1S/C10H13N3/c1-2-8-6-12-9-3-4-11-7-10(9)13(8)5-1/h3-4,7-8,12H,1-2,5-6H2/t8-/m0/s1
InChIKeyGGYRIYFJPMAGCO-QMMMGPOBSA-N
XLogP1.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84620310
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
CID 134265703
8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
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Frequently Asked Questions

What is the IUPAC name of (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene?
The IUPAC name of (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene (CID 82411081) is (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene.
What is the SMILES notation for (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene?
The canonical SMILES for (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene is c1cc2c(cn1)N1CCC[C@H]1CN2.
What is the InChIKey of (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene?
The InChIKey is GGYRIYFJPMAGCO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-8-6-12-9-3-4-11-7-10(9)13(8)5-1/h3-4,7-8,12H,1-2,5-6H2/t8-/m0/s1.
What are the key properties of (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene?
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene has a molecular weight of 175.24 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene is sourced from PubChem (CID 82411081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).