6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide

C17H21N5O — CID 167809757

IUPAC6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESNC1CC2CC(C(=O)Nc3nncn3Cc3ccccc3)CC12
InChIInChI=1S/C17H21N5O/c18-15-8-12-6-13(7-14(12)15)16(23)20-17-21-19-10-22(17)9-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9,18H2,(H,20,21,23)
InChIKeyYFSCTUWRDGXFIM-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.64
Rot. Bonds4

About 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide

6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 167809757) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID167809757
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESNC1CC2CC(C(=O)Nc3nncn3Cc3ccccc3)CC12
InChIInChI=1S/C17H21N5O/c18-15-8-12-6-13(7-14(12)15)16(23)20-17-21-19-10-22(17)9-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9,18H2,(H,20,21,23)
InChIKeyYFSCTUWRDGXFIM-UHFFFAOYSA-N
XLogP1.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide (CID 167809757) is 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide is NC1CC2CC(C(=O)Nc3nncn3Cc3ccccc3)CC12.
What is the InChIKey of 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is YFSCTUWRDGXFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-15-8-12-6-13(7-14(12)15)16(23)20-17-21-19-10-22(17)9-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9,18H2,(H,20,21,23).
What are the key properties of 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 167809757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).