2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene

C10H7N3 — CID 172758593

IUPAC2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene
SMILESc1cc2cc3[nH]cncc3nc2c1
InChIInChI=1S/C10H7N3/c1-2-7-4-9-10(5-11-6-12-9)13-8(7)3-1/h1-6H,(H,11,12)
InChIKeyQLZQOZUNAJCYBX-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.11
Rot. Bonds

About 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene

2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene (PubChem CID 172758593) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene.

Molecular Properties

Compound Name2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene
PubChem CID172758593
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene
SMILESc1cc2cc3[nH]cncc3nc2c1
InChIInChI=1S/C10H7N3/c1-2-7-4-9-10(5-11-6-12-9)13-8(7)3-1/h1-6H,(H,11,12)
InChIKeyQLZQOZUNAJCYBX-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene with MolForge

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Related Compounds

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CID 135894299
Pyrimidoindole
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Pyrimidoisoindole
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9-chloro-1H-indolo[2,3-b][1,5]naphthyridine
CID 155806048
Indenopyridopyrimidine
CID 156600129
4,6,12-Triazatricyclo[7.6.0.03,7]pentadeca-1(15),2,5,7,9,11,13-heptaene
CID 77499035
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Frequently Asked Questions

What is the IUPAC name of 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene?
The IUPAC name of 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene (CID 172758593) is 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene.
What is the SMILES notation for 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene?
The canonical SMILES for 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene is c1cc2cc3[nH]cncc3nc2c1.
What is the InChIKey of 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene?
The InChIKey is QLZQOZUNAJCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-7-4-9-10(5-11-6-12-9)13-8(7)3-1/h1-6H,(H,11,12).
What are the key properties of 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene?
2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene has a molecular weight of 169.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,4,6,8,11-hexaene is sourced from PubChem (CID 172758593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).