3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide

C9H7N5O — CID 142379881

IUPAC3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide
SMILESNC(=O)c1nc2c(cnc3[nH]ccc32)[nH]1
InChIInChI=1S/C9H7N5O/c10-7(15)9-13-5-3-12-8-4(1-2-11-8)6(5)14-9/h1-3H,(H2,10,15)(H,11,12)(H,13,14)
InChIKeyNFJYDHRGTMDFEZ-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.54
Rot. Bonds1

About 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide

3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide (PubChem CID 142379881) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide.

Molecular Properties

Compound Name3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide
PubChem CID142379881
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide
SMILESNC(=O)c1nc2c(cnc3[nH]ccc32)[nH]1
InChIInChI=1S/C9H7N5O/c10-7(15)9-13-5-3-12-8-4(1-2-11-8)6(5)14-9/h1-3H,(H2,10,15)(H,11,12)(H,13,14)
InChIKeyNFJYDHRGTMDFEZ-UHFFFAOYSA-N
XLogP0.54
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide?
The IUPAC name of 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide (CID 142379881) is 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide.
What is the SMILES notation for 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide?
The canonical SMILES for 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide is NC(=O)c1nc2c(cnc3[nH]ccc32)[nH]1.
What is the InChIKey of 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide?
The InChIKey is NFJYDHRGTMDFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-7(15)9-13-5-3-12-8-4(1-2-11-8)6(5)14-9/h1-3H,(H2,10,15)(H,11,12)(H,13,14).
What are the key properties of 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide?
3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide has a molecular weight of 201.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxamide is sourced from PubChem (CID 142379881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).