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

C16H22N4O — CID 20919374

IUPACN-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCCCNC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C16H22N4O/c1-2-9-17-16(21)13-11-19-20-14-8-6-4-3-5-7-12(14)10-18-15(13)20/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyFETKEPYOTDHFPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds3

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

N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919374) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919374
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCCCNC(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C16H22N4O/c1-2-9-17-16(21)13-11-19-20-14-8-6-4-3-5-7-12(14)10-18-15(13)20/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyFETKEPYOTDHFPE-UHFFFAOYSA-N
XLogP2.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919374) is N-propyl-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-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is CCCNC(=O)c1cnn2c3c(cnc12)CCCCCC3.
What is the InChIKey of N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is FETKEPYOTDHFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-9-17-16(21)13-11-19-20-14-8-6-4-3-5-7-12(14)10-18-15(13)20/h10-11H,2-9H2,1H3,(H,17,21).
What are the key properties of N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).