N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide

C16H24N4O — CID 121019882

IUPACN-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide
SMILESO=C(NC1CCCCC1)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C16H24N4O/c21-16(17-12-5-2-1-3-6-12)19-9-10-20-15(11-19)13-7-4-8-14(13)18-20/h12H,1-11H2,(H,17,21)
InChIKeyZGEQBZGYCOVREY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.23
Rot. Bonds1

About N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide

N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide (PubChem CID 121019882) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide
PubChem CID121019882
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide
SMILESO=C(NC1CCCCC1)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C16H24N4O/c21-16(17-12-5-2-1-3-6-12)19-9-10-20-15(11-19)13-7-4-8-14(13)18-20/h12H,1-11H2,(H,17,21)
InChIKeyZGEQBZGYCOVREY-UHFFFAOYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide?
The IUPAC name of N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide (CID 121019882) is N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide.
What is the SMILES notation for N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide?
The canonical SMILES for N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide is O=C(NC1CCCCC1)N1CCn2nc3c(c2C1)CCC3.
What is the InChIKey of N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide?
The InChIKey is ZGEQBZGYCOVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(17-12-5-2-1-3-6-12)19-9-10-20-15(11-19)13-7-4-8-14(13)18-20/h12H,1-11H2,(H,17,21).
What are the key properties of N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide?
N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene-11-carboxamide is sourced from PubChem (CID 121019882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).