5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide

C16H23N5O — CID 131670417

IUPAC5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
SMILESO=C(NC1CC1)c1nnc2n1CC1CN(C3CCC3)CC1C2
InChIInChI=1S/C16H23N5O/c22-16(17-12-4-5-12)15-19-18-14-6-10-7-20(13-2-1-3-13)8-11(10)9-21(14)15/h10-13H,1-9H2,(H,17,22)
InChIKeyXWYCYEUNLVRCCM-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.83
Rot. Bonds3

About 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide

5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide (PubChem CID 131670417) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
PubChem CID131670417
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
SMILESO=C(NC1CC1)c1nnc2n1CC1CN(C3CCC3)CC1C2
InChIInChI=1S/C16H23N5O/c22-16(17-12-4-5-12)15-19-18-14-6-10-7-20(13-2-1-3-13)8-11(10)9-21(14)15/h10-13H,1-9H2,(H,17,22)
InChIKeyXWYCYEUNLVRCCM-UHFFFAOYSA-N
XLogP0.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide?
The IUPAC name of 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide (CID 131670417) is 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide.
What is the SMILES notation for 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide?
The canonical SMILES for 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide is O=C(NC1CC1)c1nnc2n1CC1CN(C3CCC3)CC1C2.
What is the InChIKey of 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide?
The InChIKey is XWYCYEUNLVRCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-16(17-12-4-5-12)15-19-18-14-6-10-7-20(13-2-1-3-13)8-11(10)9-21(14)15/h10-13H,1-9H2,(H,17,22).
What are the key properties of 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide?
5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-cyclopropyl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide is sourced from PubChem (CID 131670417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).