(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

C16H22N8O — CID 167927713

IUPAC(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCC(C)n1nnc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)n1
InChIInChI=1S/C16H22N8O/c1-11(2)24-20-15(19-21-24)18-16(25)22-9-12-5-3-7-17-14(12)23-8-4-6-13(23)10-22/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,18,20,25)/t13-/m1/s1
InChIKeyUUBSGPFREDXAHE-CYBMUJFWSA-N
MW342.41 g/mol
LogP1.67
Rot. Bonds2

About (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (PubChem CID 167927713) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
PubChem CID167927713
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCC(C)n1nnc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)n1
InChIInChI=1S/C16H22N8O/c1-11(2)24-20-15(19-21-24)18-16(25)22-9-12-5-3-7-17-14(12)23-8-4-6-13(23)10-22/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,18,20,25)/t13-/m1/s1
InChIKeyUUBSGPFREDXAHE-CYBMUJFWSA-N
XLogP1.67
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The IUPAC name of (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (CID 167927713) is (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.
What is the SMILES notation for (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The canonical SMILES for (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is CC(C)n1nnc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)n1.
What is the InChIKey of (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The InChIKey is UUBSGPFREDXAHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N8O/c1-11(2)24-20-15(19-21-24)18-16(25)22-9-12-5-3-7-17-14(12)23-8-4-6-13(23)10-22/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,18,20,25)/t13-/m1/s1.
What are the key properties of (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is sourced from PubChem (CID 167927713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).