2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C16H23N5 — CID 46096739

IUPAC2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESc1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCC3
InChIInChI=1S/C16H23N5/c1-2-4-6-11-20(10-5-3-1)15-13-8-7-9-14(13)19-16-17-12-18-21(15)16/h12H,1-11H2
InChIKeyZIZWAQIDABLEEV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds1

About 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 46096739) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID46096739
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESc1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCC3
InChIInChI=1S/C16H23N5/c1-2-4-6-11-20(10-5-3-1)15-13-8-7-9-14(13)19-16-17-12-18-21(15)16/h12H,1-11H2
InChIKeyZIZWAQIDABLEEV-UHFFFAOYSA-N
XLogP2.77
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
CID 91799414
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3-Ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671184
7-Methyl-3-propyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
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7-Methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
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Frequently Asked Questions

What is the IUPAC name of 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 46096739) is 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is c1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCC3.
What is the InChIKey of 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is ZIZWAQIDABLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-4-6-11-20(10-5-3-1)15-13-8-7-9-14(13)19-16-17-12-18-21(15)16/h12H,1-11H2.
What are the key properties of 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 285.39 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 46096739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).