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

C17H24N4O — CID 20919353

IUPACN-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C17H24N4O/c1-3-12(2)20-17(22)14-11-19-21-15-9-7-5-4-6-8-13(15)10-18-16(14)21/h10-12H,3-9H2,1-2H3,(H,20,22)
InChIKeyCLDQTIDGIMJSFK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.92
Rot. Bonds3

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

N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919353) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919353
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C17H24N4O/c1-3-12(2)20-17(22)14-11-19-21-15-9-7-5-4-6-8-13(15)10-18-16(14)21/h10-12H,3-9H2,1-2H3,(H,20,22)
InChIKeyCLDQTIDGIMJSFK-UHFFFAOYSA-N
XLogP2.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919353) is N-butan-2-yl-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-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is CCC(C)NC(=O)c1cnn2c3c(cnc12)CCCCCC3.
What is the InChIKey of N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is CLDQTIDGIMJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-12(2)20-17(22)14-11-19-21-15-9-7-5-4-6-8-13(15)10-18-16(14)21/h10-12H,3-9H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).