1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

C8H7N5 — CID 123371321

IUPAC1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESNc1nc2[nH]ccc2n2cncc12
InChIInChI=1S/C8H7N5/c9-7-6-3-10-4-13(6)5-1-2-11-8(5)12-7/h1-4,11H,(H2,9,12)
InChIKeyFMIXHLPVGGEMDG-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.79
Rot. Bonds

About 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (PubChem CID 123371321) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.

Molecular Properties

Compound Name1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
PubChem CID123371321
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESNc1nc2[nH]ccc2n2cncc12
InChIInChI=1S/C8H7N5/c9-7-6-3-10-4-13(6)5-1-2-11-8(5)12-7/h1-4,11H,(H2,9,12)
InChIKeyFMIXHLPVGGEMDG-UHFFFAOYSA-N
XLogP0.79
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine with MolForge

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Related Compounds

2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 139908093
7-fluoro-8-N-methylimidazo[1,5-a]quinoxaline-4,8-diamine
CID 145005250
methyl 7-amino-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-12-carboxylate
CID 171487720
6-(oxolan-3-yloxy)imidazo[1,5-a]quinoxalin-4-amine
CID 54314829
10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382420
CID 87584548
CID 87584548
4-amino-N-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 176723151
6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine
CID 70246687
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 134540913
10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 67217151
N-methylimidazo[1,5-a]quinoxaline-4-carboxamide
CID 54477078

Frequently Asked Questions

What is the IUPAC name of 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The IUPAC name of 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (CID 123371321) is 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.
What is the SMILES notation for 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The canonical SMILES for 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is Nc1nc2[nH]ccc2n2cncc12.
What is the InChIKey of 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The InChIKey is FMIXHLPVGGEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c9-7-6-3-10-4-13(6)5-1-2-11-8(5)12-7/h1-4,11H,(H2,9,12).
What are the key properties of 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine has a molecular weight of 173.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is sourced from PubChem (CID 123371321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).