N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

C19H26N4O — CID 20919400

IUPACN-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C19H26N4O/c24-19(22-15-9-5-3-6-10-15)16-13-21-23-17-11-7-2-1-4-8-14(17)12-20-18(16)23/h12-13,15H,1-11H2,(H,22,24)
InChIKeyGDLLZISOTOGJBQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.45
Rot. Bonds2

About N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919400) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919400
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C19H26N4O/c24-19(22-15-9-5-3-6-10-15)16-13-21-23-17-11-7-2-1-4-8-14(17)12-20-18(16)23/h12-13,15H,1-11H2,(H,22,24)
InChIKeyGDLLZISOTOGJBQ-UHFFFAOYSA-N
XLogP3.45
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919400) is N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is O=C(NC1CCCCC1)c1cnn2c3c(cnc12)CCCCCC3.
What is the InChIKey of N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is GDLLZISOTOGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(22-15-9-5-3-6-10-15)16-13-21-23-17-11-7-2-1-4-8-14(17)12-20-18(16)23/h12-13,15H,1-11H2,(H,22,24).
What are the key properties of N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).